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

Systemtic Name: (3S)-4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(naphthalen-1-ylsulfonylamino)-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-3-(1-naphthylsulfonylamino)-4-oxo-butanoic acid CAS Name: (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1-naphthalenylsulfonylamino)-4-oxobutanoic acid IUPAC Name: (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(naphthalen-1-ylsulfonylamino)-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]-4-keto-3-(1-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=CC=CC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@H](CC(=O)O)NS(=O)(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C23H23N3O6S/c24-22(29)18(13-15-7-2-1-3-8-15)25-23(30)19(14-21(27)28)26-33(31,32)20-12-6-10-16-9-4-5-11-17(16)20/h1-12,18-19,26H,13-14H2,(H2,24,29)(H,25,30)(H,27,28)/t18-,19-/m0/s1