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

Systemtic Name: (2R)-3-phenyl-2-[[4-sulfanyl-2-(thiophen-2-ylcarbonylamino)butanoyl]amino]propanoic acid Openeye Name: (2R)-3-phenyl-2-[[4-sulfanyl-2-(thiophene-2-carbonylamino)butanoyl]amino]propanoic acid CAS Name: (2R)-2-[[4-mercapto-1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]butyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-3-phenyl-2-[[4-sulfanyl-2-(thiophene-2-carbonylamino)butanoyl]amino]propanoic acid Traditional Name: (2R)-2-[[4-mercapto-2-(2-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=CC=CS2

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C(CCS)NC(=O)C2=CC=CS2

InChI

InChI=1S/C18H20N2O4S2/c21-16(13(8-9-25)19-17(22)15-7-4-10-26-15)20-14(18(23)24)11-12-5-2-1-3-6-12/h1-7,10,13-14,25H,8-9,11H2,(H,19,22)(H,20,21)(H,23,24)/t13?,14-/m1/s1