N-[(2R)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]-1H-pyrazole-4-carboxamide

Systemtic Name: N-[(2R)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]-1H-pyrazole-4-carboxamide Openeye Name: N-[(1R)-2-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]-1H-pyrazole-4-carboxamide CAS Name: N-[(2R)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]-1H-pyrazole-4-carboxamide IUPAC Name: N-[(2R)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]-1H-pyrazole-4-carboxamide Traditional Name: N-[(1R)-2-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]-1H-pyrazole-4-carboxamide Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C(CS)NC(=O)C2=CNN=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O3S/c17-14(22)12(6-10-4-2-1-3-5-10)20-16(24)13(9-25)21-15(23)11-7-18-19-8-11/h1-5,7-8,12-13,25H,6,9H2,(H2,17,22)(H,18,19)(H,20,24)(H,21,23)/t12-,13-/m0/s1