(phenylmethyl) N-[(3S)-5-[methyl-(2-nitrophenyl)sulfonyl-amino]-1-oxidanylidene-1-[(phenylmethyl)amino]pentan-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(3S)-5-[methyl-(2-nitrophenyl)sulfonyl-amino]-1-oxidanylidene-1-[(phenylmethyl)amino]pentan-3-yl]carbamate Openeye Name: benzyl N-[(1S)-3-(benzylamino)-1-[2-[methyl-(2-nitrophenyl)sulfonyl-amino]ethyl]-3-oxo-propyl]carbamate CAS Name: N-[(3S)-5-[methyl-(2-nitrophenyl)sulfonylamino]-1-oxo-1-[(phenylmethyl)amino]pentan-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(3S)-1-(benzylamino)-5-[methyl-(2-nitrophenyl)sulfonylamino]-1-oxopentan-3-yl]carbamate Traditional Name: N-[(1S)-3-(benzylamino)-3-keto-1-[2-[methyl-(2-nitrophenyl)sulfonyl-amino]ethyl]propyl]carbamic acid benzyl ester Formula: C27H30N4O7S MolecularWeight: 554.6147

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(CC(=O)NCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN(CC[C@@H](CC(=O)NCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C27H30N4O7S/c1-30(39(36,37)25-15-9-8-14-24(25)31(34)35)17-16-23(18-26(32)28-19-21-10-4-2-5-11-21)29-27(33)38-20-22-12-6-3-7-13-22/h2-15,23H,16-20H2,1H3,(H,28,32)(H,29,33)/t23-/m0/s1