(2R)-2-(15-allyl-3,6-bis(4-aminobutyl)-4,7,10,13,16,19,22-heptaoxo-27-(2-oxopyrrolidin-1-yl)-9-(3-(2-oxopyrrolidin-1-yl)propyl)-18-((R)-1-phenylethyl)-12-((tetrahydrofuran-2-yl)methyl)-21-(3-(trifluoromethyl)benzyl)-3,6,9,12,15,18,21,24-octaazaheptacosanamido)-3-mercaptopropanamide

ID: ALA4299682

Chembl Id: CHEMBL4299682

PubChem CID: 127052448

Max Phase: Preclinical

Molecular Formula: C65H97F3N14O12S

Molecular Weight: 1355.64

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  C=CCN(CC(=O)N(CC(=O)N(CCCN1CCCC1=O)CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(=O)N[C@@H](CS)C(N)=O)CC1CCCO1)C(=O)CN(C(=O)CN(Cc1cccc(C(F)(F)F)c1)C(=O)CNCCCN1CCCC1=O)[C@H](C)c1ccccc1

Standard InChI:  InChI=1S/C65H97F3N14O12S/c1-3-27-76(62(91)46-82(48(2)50-18-5-4-6-19-50)63(92)45-80(38-49-17-11-20-51(36-49)65(66,67)68)57(86)37-72-26-15-32-74-30-12-22-55(74)84)43-61(90)81(39-52-21-14-35-94-52)44-60(89)79(34-16-33-75-31-13-23-56(75)85)42-59(88)78(29-10-8-25-70)41-58(87)77(28-9-7-24-69)40-54(83)73-53(47-95)64(71)93/h3-6,11,17-20,36,48,52-53,72,95H,1,7-10,12-16,21-35,37-47,69-70H2,2H3,(H2,71,93)(H,73,83)/t48-,52?,53+/m1/s1

Standard InChI Key:  GQTZTEZRVOYDCO-SMYYOSLBSA-N

Alternative Forms

1. Parent:

   

   ALA4299682

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1355.64

Molecular Weight (Monoisotopic): 1354.7083

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References

1. Fu J, Xia A, Qi X..  (2016)  Identification of novel peptoid agonists of fibroblast growth factor receptor using microarray-based screening.,  7  (6): [PMID:27721968] [10.1039/c6md00121a]

Source

Source(1):

• Scientific Literature