3-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-4-oxidanylidene-4-phenylazanyl-butanoic acid

Systemtic Name: 3-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-4-oxidanylidene-4-phenylazanyl-butanoic acid Openeye Name: 3-[(2R)-2-amino-3-hydroxy-3-oxo-propyl]sulfanyl-4-anilino-4-oxo-butanoic acid CAS Name: 3-[[(2R)-2-amino-3-hydroxy-3-oxopropyl]thio]-4-anilino-4-oxobutanoic acid IUPAC Name: 3-[(2R)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-4-anilino-4-oxobutanoic acid Traditional Name: 3-[[(2R)-2-amino-3-hydroxy-3-keto-propyl]thio]-4-anilino-4-keto-butyric acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(CC(=O)O)SCC(C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5S/c14-9(13(19)20)7-21-10(6-11(16)17)12(18)15-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/t9-,10?/m0/s1