2-[[(2S)-1-[(4-carboxylatophenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]benzoate

Systemtic Name: 2-[[(2S)-1-[(4-carboxylatophenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]benzoate Openeye Name: 2-[[(1S)-1-[(4-carboxylatophenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]carbamoyl]benzoate CAS Name: 2-[[[(2S)-1-[(4-carboxylatophenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]benzoate IUPAC Name: 2-[[(2S)-1-[(4-carboxylatophenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]benzoate Traditional Name: 2-[[(1S)-1-[(4-carboxylatobenzyl)carbamoyl]-3-(methylthio)propyl]carbamoyl]benzoate Formula: C21H20N2O6S-2 MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=C(C=C1)C(=O)[O-])NC(=O)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CC=C(C=C1)C(=O)[O-])NC(=O)C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C21H22N2O6S/c1-30-11-10-17(23-18(24)15-4-2-3-5-16(15)21(28)29)19(25)22-12-13-6-8-14(9-7-13)20(26)27/h2-9,17H,10-12H2,1H3,(H,22,25)(H,23,24)(H,26,27)(H,28,29)/p-2/t17-/m0/s1