6-[[1-[[(2R)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-4-sulfanyl-butan-2-yl]carbamoyl]pyridine-2-carboxylic acid

Systemtic Name: 6-[[1-[[(2R)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-4-sulfanyl-butan-2-yl]carbamoyl]pyridine-2-carboxylic acid Openeye Name: 6-[[1-[[(1R)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-3-sulfanyl-propyl]carbamoyl]pyridine-2-carboxylic acid CAS Name: 6-[[[1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-mercapto-1-oxobutan-2-yl]amino]-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 6-[[1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-4-sulfanylbutan-2-yl]carbamoyl]pyridine-2-carboxylic acid Traditional Name: 6-[[1-[[(1R)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]-3-mercapto-propyl]carbamoyl]picolinic acid Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C(CCS)NC(=O)C2=NC(=CC=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5S/c21-17(25)16(11-12-5-2-1-3-6-12)24-19(27)14(9-10-30)23-18(26)13-7-4-8-15(22-13)20(28)29/h1-8,14,16,30H,9-11H2,(H2,21,25)(H,23,26)(H,24,27)(H,28,29)/t14?,16-/m1/s1