(2R)-2-[[2-[(4-azanyl-4-oxidanylidene-butanoyl)amino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[2-[(4-azanyl-4-oxidanylidene-butanoyl)amino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-[(4-amino-4-oxo-butanoyl)amino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[2-[(4-amino-1,4-dioxobutyl)amino]-4-mercapto-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-[(4-amino-4-oxobutanoyl)amino]-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[2-[(4-amino-4-keto-butanoyl)amino]-4-mercapto-butanoyl]amino]-3-phenyl-propionic acid Formula: C17H23N3O5S MolecularWeight: 381.44662

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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)CCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C(CCS)NC(=O)CCC(=O)N

InChI

InChI=1S/C17H23N3O5S/c18-14(21)6-7-15(22)19-12(8-9-26)16(23)20-13(17(24)25)10-11-4-2-1-3-5-11/h1-5,12-13,26H,6-10H2,(H2,18,21)(H,19,22)(H,20,23)(H,24,25)/t12?,13-/m1/s1