(2S)-N-[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-3-oxidanyl-2-(2-sulfanylethanoylamino)butanamide

Systemtic Name: (2S)-N-[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-3-oxidanyl-2-(2-sulfanylethanoylamino)butanamide Openeye Name: (2S)-N-[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]-3-hydroxy-2-[(2-sulfanylacetyl)amino]butanamide CAS Name: (2S)-3-hydroxy-2-[(2-mercapto-1-oxoethyl)amino]-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide IUPAC Name: (2S)-3-hydroxy-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-[(2-sulfanylacetyl)amino]butanamide Traditional Name: (2S)-N-[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]-3-hydroxy-2-[(2-mercaptoacetyl)amino]butyramide Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC)NC(=O)CS)O

Isomeric SMILES

CC([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC)NC(=O)CS)O

InChI

InChI=1S/C16H23N3O4S/c1-10(20)14(19-13(21)9-24)16(23)18-12(15(22)17-2)8-11-6-4-3-5-7-11/h3-7,10,12,14,20,24H,8-9H2,1-2H3,(H,17,22)(H,18,23)(H,19,21)/t10?,12-,14-/m0/s1