methyl (4S)-2,6-dimethyl-5-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-pentan-2-yl]carbamoyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl (4S)-2,6-dimethyl-5-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-pentan-2-yl]carbamoyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl (4S)-5-[[(1S)-1-tert-butoxycarbonyl-3-methyl-butyl]carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-2,6-dimethyl-5-[[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]amino]-oxomethyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2,6-dimethyl-5-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-[[(1S)-1-tert-butoxycarbonyl-3-methyl-butyl]carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C26H35N3O7 MolecularWeight: 501.572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC(CC(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C([C@@H](C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H35N3O7/c1-14(2)12-19(24(31)36-26(5,6)7)28-23(30)20-15(3)27-16(4)21(25(32)35-8)22(20)17-10-9-11-18(13-17)29(33)34/h9-11,13-14,19,22,27H,12H2,1-8H3,(H,28,30)/t19-,22-/m0/s1