propan-2-yl (3R)-3-[[methyl-(phenylmethyl)carbamoyl]amino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl (3R)-3-[[methyl-(phenylmethyl)carbamoyl]amino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl (3R)-3-[[benzyl(methyl)carbamoyl]amino]-3-(2-nitrophenyl)propanoate CAS Name: (3R)-3-[[[methyl-(phenylmethyl)amino]-oxomethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3R)-3-[[benzyl(methyl)carbamoyl]amino]-3-(2-nitrophenyl)propanoate Traditional Name: (3R)-3-[[benzyl(methyl)carbamoyl]amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)N(C)CC2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)C[C@H](C1=CC=CC=C1[N+](=O)[O-])NC(=O)N(C)CC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O5/c1-15(2)29-20(25)13-18(17-11-7-8-12-19(17)24(27)28)22-21(26)23(3)14-16-9-5-4-6-10-16/h4-12,15,18H,13-14H2,1-3H3,(H,22,26)/t18-/m1/s1