(3S,6S,9S,12S,15S,18S,21S,24S,27S)-12-((1H-indol-3-yl)methyl)-27-((S)-2-((S)-2-acetamido-3-(1H-indol-3-yl)propanamido)-3-(1H-indol-3-yl)propanamido)-24-(3-amino-3-oxopropyl)-6-benzyl-3-(((2R,3S,15S,18S)-15-benzyl-3-((S)-2-carbamoylpyrrolidine-1-carbonyl)-2-hydroxy-19-methyl-5,8,11,14,17-pentaoxo-4,7,10,13,16-pentaazaicosan-18-yl)carbamoyl)-9,15,21-tris(carboxymethyl)-18-(3-guanidinopropyl)-5,8,11,14,17,20,23,26-octaoxo-4,7,10,13,16,19,22,25-octaazatriacontanedioic acid

ID: ALA5270477

Chembl Id: CHEMBL5270477

Max Phase: Preclinical

Molecular Formula: C105H132N26O31

Molecular Weight: 2254.36

Names and Identifiers

Canonical SMILES:  CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O)C(C)C

Standard InChI:  InChI=1S/C105H132N26O31/c1-52(2)88(103(161)128-69(37-55-19-7-5-8-20-55)91(149)116-50-81(136)114-49-80(135)115-51-82(137)129-89(53(3)132)104(162)131-36-18-30-78(131)90(107)148)130-102(160)77(45-87(146)147)127-95(153)70(38-56-21-9-6-10-22-56)121-100(158)76(44-86(144)145)126-98(156)73(41-59-48-113-65-28-16-13-25-62(59)65)123-101(159)75(43-85(142)143)124-92(150)66(29-17-35-110-105(108)109)118-99(157)74(42-84(140)141)125-94(152)67(31-33-79(106)134)119-93(151)68(32-34-83(138)139)120-97(155)72(40-58-47-112-64-27-15-12-24-61(58)64)122-96(154)71(117-54(4)133)39-57-46-111-63-26-14-11-23-60(57)63/h5-16,19-28,46-48,52-53,66-78,88-89,111-113,132H,17-18,29-45,49-51H2,1-4H3,(H2,106,134)(H2,107,148)(H,114,136)(H,115,135)(H,116,149)(H,117,133)(H,118,157)(H,119,151)(H,120,155)(H,121,158)(H,122,154)(H,123,159)(H,124,150)(H,125,152)(H,126,156)(H,127,153)(H,128,161)(H,129,137)(H,130,160)(H,138,139)(H,140,141)(H,142,143)(H,144,145)(H,146,147)(H4,108,109,110)/t53-,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,88+,89+/m1/s1

Standard InChI Key:  DUMYLCZRWGRTSX-QXLZSXQBSA-N

Alternative Forms

1. Parent:

   

   ALA5270477

   ---

Molecule Features

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: 2254.36

Molecular Weight (Monoisotopic): 2252.9552

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References

1. Zorzi A, Linciano S, Angelini A..  (2019)  Non-covalent albumin-binding ligands for extending the circulating half-life of small biotherapeutics.,  10  (7.0): [PMID:31391879] [10.1039/C9MD00018F]

Source

Source(1):

• Scientific Literature