(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]-5-oxo-pentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-carboxy-propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-carboxy-butanoyl]amino]propanoyl]amino]-4-carboxy-butanoyl]amino]-3-carboxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxo-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxo-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxo-butanoyl]amino]-3-hydroxy-butanoyl]amino]-4-oxo-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-carboxy-butanoyl]amino]pentanedioic acid

ID: ALA5274408

Max Phase: Preclinical

Molecular Formula: C192H275N47O67

Molecular Weight: 4313.57

This compound is available for customization.

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O

Standard InChI: InChI=1S/C192H275N47O67/c1-15-92(8)153(188(301)239-156(98(14)245)189(302)215-118(55-63-149(262)263)165(278)216-119(192(305)306)56-64-150(264)265)236-183(296)133(80-144(201)253)232-191(304)155(97(13)244)238-184(297)132(79-143(200)252)228-175(288)126(74-103-43-47-107(247)48-44-103)223-179(292)130(77-141(198)250)227-177(290)128(75-104-83-203-110-38-26-25-37-108(104)110)224-185(298)136(85-240)233-159(272)95(11)207-169(282)120(67-89(2)3)219-186(299)137(86-241)235-187(300)138(87-242)234-167(280)114(51-58-140(197)249)213-172(285)125(73-102-41-45-106(246)46-42-102)222-173(286)124(71-100-33-21-17-22-34-100)221-170(283)121(68-90(4)5)218-182(295)135(82-152(268)269)229-166(279)116(53-61-147(258)259)209-158(271)94(10)206-162(275)115(52-60-146(256)257)214-178(291)129(76-105-84-202-88-204-105)225-180(293)131(78-142(199)251)226-174(287)123(70-99-31-19-16-20-32-99)220-163(276)111(39-27-29-65-193)211-181(294)134(81-151(266)267)230-171(284)122(69-91(6)7)217-176(289)127(72-101-35-23-18-24-36-101)231-190(303)154(96(12)243)237-168(281)112(40-28-30-66-194)208-157(270)93(9)205-161(274)113(50-57-139(196)248)212-164(277)117(54-62-148(260)261)210-160(273)109(195)49-59-145(254)255/h16-26,31-38,41-48,83-84,88-98,109,111-138,153-156,203,240-247H,15,27-30,39-40,49-82,85-87,193-195H2,1-14H3,(H2,196,248)(H2,197,249)(H2,198,250)(H2,199,251)(H2,200,252)(H2,201,253)(H,202,204)(H,205,274)(H,206,275)(H,207,282)(H,208,270)(H,209,271)(H,210,273)(H,211,294)(H,212,277)(H,213,285)(H,214,291)(H,215,302)(H,216,278)(H,217,289)(H,218,295)(H,219,299)(H,220,276)(H,221,283)(H,222,286)(H,223,292)(H,224,298)(H,225,293)(H,226,287)(H,227,290)(H,228,288)(H,229,279)(H,230,284)(H,231,303)(H,232,304)(H,233,272)(H,234,280)(H,235,300)(H,236,296)(H,237,281)(H,238,297)(H,239,301)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,305,306)/t92-,93-,94-,95-,96+,97+,98+,109-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,153-,154-,155-,156-/m0/s1

Standard InChI Key: CQHCPQSUCVYZJC-HDWSBWSBSA-N

Molfile:

 
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162157  1  0
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292293  1  0
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294295  1  0
294296  2  0
297291  1  0
298297  1  0
298299  2  0
300298  1  0
300301  1  1
301302  1  0
302303  1  0
303304  1  0
303305  2  0
306300  1  0
M  END

Natural Product: No	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type:	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 4313.57	Molecular Weight (Monoisotopic): 4310.9556	AlogP: ┄	#Rotatable Bonds: ┄
Polar Surface Area: ┄	Molecular Species: ┄	HBA: ┄	HBD: ┄
#RO5 Violations: ┄	HBA (Lipinski): ┄	HBD (Lipinski): ┄	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄	CX Basic pKa: ┄	CX LogP: ┄	CX LogD: ┄
Aromatic Rings: ┄	Heavy Atoms: ┄	QED Weighted: ┄	Np Likeness Score: ┄

Names and Identifiers

Alternative Forms

Associated Targets(Human)

Associated Targets(non-human)

Molecule Features

Drug Indications

Mechanisms of Action

Calculated Properties

References

Source