methyl (2R,3S)-3-methyl-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoylamino]pentanoate

Systemtic Name: methyl (2R,3S)-3-methyl-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoylamino]pentanoate Openeye Name: methyl (2R,3S)-3-methyl-2-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]pentanoate CAS Name: (2R,3S)-3-methyl-2-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxoethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-methyl-2-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]pentanoate Traditional Name: (2R,3S)-3-methyl-2-[[2-[4-(4-nitrophenyl)piperazino]acetyl]amino]valeric acid methyl ester Formula: C19H28N4O5 MolecularWeight: 392.44942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CN1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)CN1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O5/c1-4-14(2)18(19(25)28-3)20-17(24)13-21-9-11-22(12-10-21)15-5-7-16(8-6-15)23(26)27/h5-8,14,18H,4,9-13H2,1-3H3,(H,20,24)/t14-,18+/m0/s1