(3S)-4-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-3-(2-naphthylsulfonylamino)-4-oxo-butanoic acid CAS Name: (3S)-4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(2-naphthalenylsulfonylamino)-4-oxobutanoic acid IUPAC Name: (3S)-4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanoic acid Traditional Name: (3S)-4-[(2-amino-1-benzyl-2-keto-ethyl)amino]-4-keto-3-(2-naphthylsulfonylamino)butyric acid Formula: C23H23N3O6S MolecularWeight: 469.51022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C(CC(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)[C@H](CC(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H23N3O6S/c24-22(29)19(12-15-6-2-1-3-7-15)25-23(30)20(14-21(27)28)26-33(31,32)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13,19-20,26H,12,14H2,(H2,24,29)(H,25,30)(H,27,28)/t19?,20-/m0/s1