4-[[1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-sulfanyl-butan-2-yl]carbamoyl]benzoic acid

Systemtic Name: 4-[[1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-sulfanyl-butan-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[1-[[(1R)-1-benzyl-2-hydroxy-2-oxo-ethyl]carbamoyl]-3-sulfanyl-propyl]carbamoyl]benzoic acid CAS Name: 4-[[[1-[[(2R)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-4-mercapto-1-oxobutan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[1-[[(2R)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-4-sulfanylbutan-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[[1-[[(1R)-1-benzyl-2-hydroxy-2-keto-ethyl]carbamoyl]-3-mercapto-propyl]carbamoyl]benzoic acid Formula: C21H22N2O6S MolecularWeight: 430.47418

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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=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6S/c24-18(14-6-8-15(9-7-14)20(26)27)22-16(10-11-30)19(25)23-17(21(28)29)12-13-4-2-1-3-5-13/h1-9,16-17,30H,10-12H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t16?,17-/m1/s1