(4-nitrophenyl)methyl (3S,4S)-3-[(2S)-2-azanyl-3-phenyl-propanoyl]oxy-4-methyl-decanoate

Systemtic Name: (4-nitrophenyl)methyl (3S,4S)-3-[(2S)-2-azanyl-3-phenyl-propanoyl]oxy-4-methyl-decanoate Openeye Name: (4-nitrophenyl)methyl (3S,4S)-3-[(2S)-2-amino-3-phenyl-propanoyl]oxy-4-methyl-decanoate CAS Name: (3S,4S)-3-[(2S)-2-amino-1-oxo-3-phenylpropoxy]-4-methyldecanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (3S,4S)-3-[(2S)-2-amino-3-phenylpropanoyl]oxy-4-methyldecanoate Traditional Name: (3S,4S)-3-[(2S)-2-amino-3-phenyl-propanoyl]oxy-4-methyl-capric acid (4-nitrobenzyl) ester Formula: C27H36N2O6 MolecularWeight: 484.58454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CCCCCC[C@H](C)[C@H](CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)[C@H](CC2=CC=CC=C2)N

InChI

InChI=1S/C27H36N2O6/c1-3-4-5-7-10-20(2)25(35-27(31)24(28)17-21-11-8-6-9-12-21)18-26(30)34-19-22-13-15-23(16-14-22)29(32)33/h6,8-9,11-16,20,24-25H,3-5,7,10,17-19,28H2,1-2H3/t20-,24-,25-/m0/s1