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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)CN(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/c1-3-19(2)16-27(25(31)34-18-21-12-8-5-9-13-21)24(30)26-22(23(29)17-28(32)33)15-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3,(H,26,30)/t19?,22-/m0/s1