(4S,7S,10S,13S,16S,19S,22S)-4-carbamoyl-10,16-bis(2-carboxyethyl)-22-(2-(2-(2-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxamido)ethoxy)ethoxy)acetamido)-7,19-bis(4-hydroxybenzyl)-6,9,12,15,18,21-hexaoxo-13-(4-palmitamidobutyl)-5,8,11,14,17,20-hexaazapentacosanedioic acid

ID: ALA5270284

Chembl Id: CHEMBL5270284

Max Phase: Preclinical

Molecular Formula: C87H112N10O27

Molecular Weight: 1729.90

Names and Identifiers

Canonical SMILES:  CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)COCCOCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O

Standard InChI:  InChI=1S/C87H112N10O27/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-72(102)89-41-16-15-17-64(80(114)94-67(36-40-77(110)111)83(117)97-68(46-52-19-24-55(98)25-20-52)84(118)92-63(78(88)112)33-37-74(104)105)93-82(116)66(35-39-76(108)109)95-85(119)69(47-53-21-26-56(99)27-22-53)96-81(115)65(34-38-75(106)107)91-73(103)51-122-45-44-121-43-42-90-79(113)54-23-30-60-59(48-54)86(120)124-87(60)61-31-28-57(100)49-70(61)123-71-50-58(101)29-32-62(71)87/h19-32,48-50,63-69,98-101H,2-18,33-47,51H2,1H3,(H2,88,112)(H,89,102)(H,90,113)(H,91,103)(H,92,118)(H,93,116)(H,94,114)(H,95,119)(H,96,115)(H,97,117)(H,104,105)(H,106,107)(H,108,109)(H,110,111)/t63-,64-,65-,66-,67-,68-,69-/m0/s1

Standard InChI Key:  KJUWGHYRRPQMKH-MOTFGSSMSA-N

Alternative Forms

1. Parent:

   

   ALA5270284

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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: 1729.90

Molecular Weight (Monoisotopic): 1728.7698

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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