methyl (2S)-6-azanyl-2-[(3-nitrophenyl)methyl-[(4-phenylmethoxyphenyl)methyl]amino]hexanoate

Systemtic Name: methyl (2S)-6-azanyl-2-[(3-nitrophenyl)methyl-[(4-phenylmethoxyphenyl)methyl]amino]hexanoate Openeye Name: methyl (2S)-6-amino-2-[(4-benzyloxyphenyl)methyl-[(3-nitrophenyl)methyl]amino]hexanoate CAS Name: (2S)-6-amino-2-[(3-nitrophenyl)methyl-[(4-phenylmethoxyphenyl)methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-6-amino-2-[(3-nitrophenyl)methyl-[(4-phenylmethoxyphenyl)methyl]amino]hexanoate Traditional Name: (2S)-6-amino-2-[(4-benzoxybenzyl)-(3-nitrobenzyl)amino]hexanoic acid methyl ester Formula: C28H33N3O5 MolecularWeight: 491.57872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCN)N(CC1=CC=C(C=C1)OCC2=CC=CC=C2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CCCCN)N(CC1=CC=C(C=C1)OCC2=CC=CC=C2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C28H33N3O5/c1-35-28(32)27(12-5-6-17-29)30(20-24-10-7-11-25(18-24)31(33)34)19-22-13-15-26(16-14-22)36-21-23-8-3-2-4-9-23/h2-4,7-11,13-16,18,27H,5-6,12,17,19-21,29H2,1H3/t27-/m0/s1