3-oxidanyl-5-[[1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-sulfanyl-butan-2-yl]carbamoyl]benzoic acid

Systemtic Name: 3-oxidanyl-5-[[1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-sulfanyl-butan-2-yl]carbamoyl]benzoic acid Openeye Name: 3-[[1-[[(1R)-1-benzyl-2-hydroxy-2-oxo-ethyl]carbamoyl]-3-sulfanyl-propyl]carbamoyl]-5-hydroxy-benzoic acid CAS Name: 3-hydroxy-5-[[[1-[[(2R)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-4-mercapto-1-oxobutan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 3-hydroxy-5-[[1-[[(2R)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-4-sulfanylbutan-2-yl]carbamoyl]benzoic acid Traditional Name: 3-[[1-[[(1R)-1-benzyl-2-hydroxy-2-keto-ethyl]carbamoyl]-3-mercapto-propyl]carbamoyl]-5-hydroxy-benzoic acid Formula: C21H22N2O7S MolecularWeight: 446.47358

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7S/c24-15-10-13(9-14(11-15)20(27)28)18(25)22-16(6-7-31)19(26)23-17(21(29)30)8-12-4-2-1-3-5-12/h1-5,9-11,16-17,24,31H,6-8H2,(H,22,25)(H,23,26)(H,27,28)(H,29,30)/t16?,17-/m1/s1