(R)-2-(14-allyl-20,23-bis(4-aminobutyl)-8-cyclopentyl-11-(furan-2-ylmethyl)-4,7,10,13,16,19,22-heptaoxo-1-phenyl-17-((R)-1-phenylethyl)-5-(3-(trifluoromethyl)benzyl)-2,5,8,11,14,17,20,23-octaazapentacosanamido)-3-mercaptopropanamide

ID: ALA3817971

Chembl Id: CHEMBL3817971

PubChem CID: 127049031

Max Phase: Preclinical

Molecular Formula: C63H85F3N12O10S

Molecular Weight: 1259.51

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  C=CCN(CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(=O)N[C@@H](CS)C(N)=O)[C@H](C)c1ccccc1)C(=O)CN(Cc1ccco1)C(=O)CN(C(=O)CN(Cc1cccc(C(F)(F)F)c1)C(=O)CNCc1ccccc1)C1CCCC1

Standard InChI:  InChI=1S/C63H85F3N12O10S/c1-3-29-72(41-60(85)77(46(2)49-21-8-5-9-22-49)43-58(83)74(31-15-13-28-68)39-56(81)73(30-14-12-27-67)38-54(79)71-53(45-89)62(69)87)57(82)40-76(37-52-26-17-32-88-52)59(84)44-78(51-24-10-11-25-51)61(86)42-75(36-48-20-16-23-50(33-48)63(64,65)66)55(80)35-70-34-47-18-6-4-7-19-47/h3-9,16-23,26,32-33,46,51,53,70,89H,1,10-15,24-25,27-31,34-45,67-68H2,2H3,(H2,69,87)(H,71,79)/t46-,53+/m1/s1

Standard InChI Key:  SCKRGHRHCRACPH-GBKXKEFLSA-N

Alternative Forms

1. Parent:

   

   ALA3817971

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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: 1259.51

Molecular Weight (Monoisotopic): 1258.6184

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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