N-[[3beta,5beta,12alpha)-3-[[[4,7,10-Trls[carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]amino]-glycyl-4-aminobenzoyl-L-leucyl-L-tryptophyl-L-alanyl-L-valinyl-glycyl-L-serinyl-L-phenylalanyl-L-methioninamide

ID: ALA3932925

Chembl Id: CHEMBL3932925

PubChem CID: 134138604

Max Phase: Preclinical

Molecular Formula: C66H100N16O18S

Molecular Weight: 1437.69

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O

Standard InChI:  InChI=1S/C66H100N16O18S/c1-38(2)27-48(75-61(95)42-13-15-44(16-14-42)72-52(84)31-69-54(86)33-79-18-20-80(34-55(87)88)22-24-82(36-57(91)92)25-23-81(21-19-79)35-56(89)90)64(98)77-50(29-43-30-68-46-12-10-9-11-45(43)46)62(96)71-41(7)60(94)78-58(40(5)6)66(100)70-32-53(85)73-51(37-83)65(99)76-49(28-39(3)4)63(97)74-47(59(67)93)17-26-101-8/h9-16,30,38-41,47-51,58,68,83H,17-29,31-37H2,1-8H3,(H2,67,93)(H,69,86)(H,70,100)(H,71,96)(H,72,84)(H,73,85)(H,74,97)(H,75,95)(H,76,99)(H,77,98)(H,78,94)(H,87,88)(H,89,90)(H,91,92)/t41-,47-,48-,49-,50-,51-,58-/m0/s1

Standard InChI Key:  XGZCOTBCLPHUCR-VSSOLUDDSA-N

Alternative Forms

1. Parent:

   

   ALA3932925

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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: 1437.69

Molecular Weight (Monoisotopic): 1436.7122

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References

1.  (2011)  Gastrin releasing peptide compounds, 

Source

Source(1):

• Patent Bioactivity Data