(2R)-3-phenyl-2-[[4-sulfanyl-2-(2-thiophen-3-ylethanoylamino)butanoyl]amino]propanoic acid

Systemtic Name: (2R)-3-phenyl-2-[[4-sulfanyl-2-(2-thiophen-3-ylethanoylamino)butanoyl]amino]propanoic acid Openeye Name: (2R)-3-phenyl-2-[[4-sulfanyl-2-[[2-(3-thienyl)acetyl]amino]butanoyl]amino]propanoic acid CAS Name: (2R)-2-[[4-mercapto-1-oxo-2-[[1-oxo-2-(3-thiophenyl)ethyl]amino]butyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-3-phenyl-2-[[4-sulfanyl-2-[(2-thiophen-3-ylacetyl)amino]butanoyl]amino]propanoic acid Traditional Name: (2R)-2-[[4-mercapto-2-[[2-(3-thienyl)acetyl]amino]butanoyl]amino]-3-phenyl-propionic acid Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CCS)NC(=O)CC2=CSC=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C(CCS)NC(=O)CC2=CSC=C2

InChI

InChI=1S/C19H22N2O4S2/c22-17(11-14-7-9-27-12-14)20-15(6-8-26)18(23)21-16(19(24)25)10-13-4-2-1-3-5-13/h1-5,7,9,12,15-16,26H,6,8,10-11H2,(H,20,22)(H,21,23)(H,24,25)/t15?,16-/m1/s1