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

Systemtic Name: (2R)-3-phenyl-2-[[4-sulfanyl-2-(thiophen-3-ylcarbonylamino)butanoyl]amino]propanoic acid Openeye Name: (2R)-3-phenyl-2-[[4-sulfanyl-2-(thiophene-3-carbonylamino)butanoyl]amino]propanoic acid CAS Name: (2R)-2-[[4-mercapto-1-oxo-2-[[oxo(3-thiophenyl)methyl]amino]butyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-3-phenyl-2-[[4-sulfanyl-2-(thiophene-3-carbonylamino)butanoyl]amino]propanoic acid Traditional Name: (2R)-2-[[4-mercapto-2-(3-thenoylamino)butanoyl]amino]-3-phenyl-propionic acid Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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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)C2=CSC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S2/c21-16(13-7-9-26-11-13)19-14(6-8-25)17(22)20-15(18(23)24)10-12-4-2-1-3-5-12/h1-5,7,9,11,14-15,25H,6,8,10H2,(H,19,21)(H,20,22)(H,23,24)/t14?,15-/m1/s1