(2S)-3-methyl-N-[(2S)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-[(4-phenyldiazenylphenyl)sulfonylmethylamino]butanamide

Systemtic Name: (2S)-3-methyl-N-[(2S)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-[(4-phenyldiazenylphenyl)sulfonylmethylamino]butanamide Openeye Name: (2S)-N-[(1S)-1-benzyl-2-oxo-ethyl]-3-methyl-2-[(4-phenylazophenyl)sulfonylmethylamino]butanamide CAS Name: (2S)-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-[(4-phenyldiazenylphenyl)sulfonylmethylamino]butanamide IUPAC Name: (2S)-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-[(4-phenyldiazenylphenyl)sulfonylmethylamino]butanamide Traditional Name: (2S)-N-[(1S)-1-benzyl-2-keto-ethyl]-3-methyl-2-[(4-phenylazophenyl)sulfonylmethylamino]butyramide Formula: C27H30N4O4S MolecularWeight: 506.6165

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C=O)NCS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C=O)NCS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC=CC=C3

InChI

InChI=1S/C27H30N4O4S/c1-20(2)26(27(33)29-24(18-32)17-21-9-5-3-6-10-21)28-19-36(34,35)25-15-13-23(14-16-25)31-30-22-11-7-4-8-12-22/h3-16,18,20,24,26,28H,17,19H2,1-2H3,(H,29,33)/t24-,26-/m0/s1