propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[4-[(4-nitrophenyl)amino]butanoylamino]propanoate

Systemtic Name: propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[4-[(4-nitrophenyl)amino]butanoylamino]propanoate Openeye Name: isopropyl (3S)-3-(4-methoxyphenyl)-3-[4-(4-nitroanilino)butanoylamino]propanoate CAS Name: (3S)-3-(4-methoxyphenyl)-3-[[4-(4-nitroanilino)-1-oxobutyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[4-(4-nitroanilino)butanoylamino]propanoate Traditional Name: (3S)-3-(4-methoxyphenyl)-3-[4-(4-nitroanilino)butanoylamino]propionic acid isopropyl ester Formula: C23H29N3O6 MolecularWeight: 443.49286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C[C@@H](C1=CC=C(C=C1)OC)NC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O6/c1-16(2)32-23(28)15-21(17-6-12-20(31-3)13-7-17)25-22(27)5-4-14-24-18-8-10-19(11-9-18)26(29)30/h6-13,16,21,24H,4-5,14-15H2,1-3H3,(H,25,27)/t21-/m0/s1