(6S,9S,12S,15S,18S)-18-(((2S,3S)-1-(((3S,5S,11R,15R,18S,23aS)-5-((1H-indol-3-yl)methyl)-11-(((2S,5S,8S,11S,14S)-11-((1H-indol-3-yl)methyl)-1-amino-8-(2-carboxyethyl)-2,5-bis(carboxymethyl)-16-methyl-1,4,7,10,13-pentaoxo-3,6,9,12-tetraazaheptadecan-14-yl)carbamoyl)-3-(3-guanidinopropyl)-18-isobutyl-1,4,6,9,16,19-hexaoxodocosahydropyrrolo[2,1-n][1]thia[4,7,12,15,18]pentaazacyclohenicosin-15-yl)amino)-3-methyl-1-oxopentan-2-yl)carbamoyl)-6-acetamido-1-amino-12-((S)-sec-butyl)-15-(2-carboxyethyl)-1-imino-9-isobutyl-7,10,13,16-tetraoxo-2,8,11,14,17-pentaazaicosan-20-oic acid

ID: ALA5267643

Chembl Id: CHEMBL5267643

Max Phase: Preclinical

Molecular Formula: C101H150N26O29S

Molecular Weight: 2224.53

Names and Identifiers

Canonical SMILES:  CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H]1CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC1=O)[C@@H](C)CC

Standard InChI:  InChI=1S/C101H150N26O29S/c1-12-51(9)81(125-92(149)67(36-49(5)6)118-86(143)62(112-53(11)128)26-19-33-108-101(105)106)97(154)116-64(29-31-77(132)133)88(145)122-70(42-80(138)139)93(150)126-82(52(10)13-2)98(155)124-73-47-157-46-72(113-75(129)45-111-85(142)58(38-54-43-109-59-23-16-14-21-56(54)59)83(140)61(25-18-32-107-100(103)104)114-96(153)74-27-20-34-127(74)99(156)71(37-50(7)8)123-95(73)152)94(151)119-66(35-48(3)4)89(146)120-68(39-55-44-110-60-24-17-15-22-57(55)60)90(147)115-63(28-30-76(130)131)87(144)121-69(41-79(136)137)91(148)117-65(84(102)141)40-78(134)135/h14-17,21-24,43-44,48-52,58,61-74,81-82,109-110H,12-13,18-20,25-42,45-47H2,1-11H3,(H2,102,141)(H,111,142)(H,112,128)(H,113,129)(H,114,153)(H,115,147)(H,116,154)(H,117,148)(H,118,143)(H,119,151)(H,120,146)(H,121,144)(H,122,145)(H,123,152)(H,124,155)(H,125,149)(H,126,150)(H,130,131)(H,132,133)(H,134,135)(H,136,137)(H,138,139)(H4,103,104,107)(H4,105,106,108)/t51-,52-,58-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,81-,82-/m0/s1

Standard InChI Key:  AXUOIRLEFGBIDH-YQQUIGGJSA-N

Alternative Forms

1. Parent:

   

   ALA5267643

   ---

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: 2224.53

Molecular Weight (Monoisotopic): 2223.0783

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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