1-[2-[2-azanylethyl-(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-4-sulfanyl-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[2-azanylethyl-(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-4-sulfanyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[2-aminoethyl-(1-carboxy-3-phenyl-propyl)amino]-4-sulfanyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[2-aminoethyl-(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-4-mercapto-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[2-aminoethyl-(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-4-sulfanylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[2-aminoethyl-(1-carboxy-3-phenyl-propyl)amino]-4-mercapto-butanoyl]proline Formula: C21H31N3O5S MolecularWeight: 437.55294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCS)N(CCN)C(CCC2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCS)N(CCN)C(CCC2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C21H31N3O5S/c22-11-13-23(18(21(28)29)9-8-15-5-2-1-3-6-15)16(10-14-30)19(25)24-12-4-7-17(24)20(26)27/h1-3,5-6,16-18,30H,4,7-14,22H2,(H,26,27)(H,28,29)