(phenylmethyl) N-(3-methylbutyl)-N-[[(3S)-1-nitro-2-oxidanylidene-5-phenyl-pentan-3-yl]carbamoyl]carbamate

Systemtic Name: (phenylmethyl) N-(3-methylbutyl)-N-[[(3S)-1-nitro-2-oxidanylidene-5-phenyl-pentan-3-yl]carbamoyl]carbamate Openeye Name: benzyl N-isopentyl-N-[[(1S)-3-nitro-2-oxo-1-phenethyl-propyl]carbamoyl]carbamate CAS Name: N-(3-methylbutyl)-N-[[[(3S)-1-nitro-2-oxo-5-phenylpentan-3-yl]amino]-oxomethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(3-methylbutyl)-N-[[(3S)-1-nitro-2-oxo-5-phenylpentan-3-yl]carbamoyl]carbamate Traditional Name: N-isoamyl-N-[[(1S)-2-keto-3-nitro-1-phenethyl-propyl]carbamoyl]carbamic acid benzyl ester Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(=O)NC(CCC1=CC=CC=C1)C(=O)C[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCN(C(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)C[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H31N3O6/c1-19(2)15-16-27(25(31)34-18-21-11-7-4-8-12-21)24(30)26-22(23(29)17-28(32)33)14-13-20-9-5-3-6-10-20/h3-12,19,22H,13-18H2,1-2H3,(H,26,30)/t22-/m0/s1