(2R)-2-(12-allyl-3,6-bis(4-aminobutyl)-26-(4-chlorophenyl)-21-cyclopentyl-9,15-bis(furan-2-ylmethyl)-4,7,10,13,16,19,22-heptaoxo-18-((tetrahydrofuran-2-yl)methyl)-3,6,9,12,15,18,21,24-octaazahexacosanamido)-3-mercaptopropanamide

ID: ALA3818048

Chembl Id: CHEMBL3818048

PubChem CID: 127052143

Max Phase: Preclinical

Molecular Formula: C58H85ClN12O12S

Molecular Weight: 1209.91

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)Cc1ccco1)C(=O)CN(Cc1ccco1)C(=O)CN(CC1CCCO1)C(=O)CN(C(=O)CNCCc1ccc(Cl)cc1)C1CCCC1

Standard InChI:  InChI=1S/C58H85ClN12O12S/c1-2-25-65(37-55(77)68(32-46-14-9-28-81-46)39-54(76)67(27-8-6-23-61)36-52(74)66(26-7-5-22-60)35-50(72)64-49(42-84)58(62)80)53(75)38-69(33-47-15-10-29-82-47)56(78)40-70(34-48-16-11-30-83-48)57(79)41-71(45-12-3-4-13-45)51(73)31-63-24-21-43-17-19-44(59)20-18-43/h2,9-10,14-15,17-20,28-29,45,48-49,63,84H,1,3-8,11-13,16,21-27,30-42,60-61H2,(H2,62,80)(H,64,72)/t48?,49-/m0/s1

Standard InChI Key:  KJGQDVICVFSXMV-NGOJWKRASA-N

Alternative Forms

1. Parent:

   

   ALA3818048

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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: 1209.91

Molecular Weight (Monoisotopic): 1208.5819

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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