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

Systemtic Name: methyl (2S)-6-azanyl-2-[bis[(3-phenylmethoxyphenyl)methyl]amino]hexanoate Openeye Name: methyl (2S)-6-amino-2-[bis[(3-benzyloxyphenyl)methyl]amino]hexanoate CAS Name: (2S)-6-amino-2-[bis[(3-phenylmethoxyphenyl)methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-6-amino-2-[bis[(3-phenylmethoxyphenyl)methyl]amino]hexanoate Traditional Name: (2S)-6-amino-2-[bis(3-benzoxybenzyl)amino]hexanoic acid methyl ester Formula: C35H40N2O4 MolecularWeight: 552.7031

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCN)N(CC1=CC(=CC=C1)OCC2=CC=CC=C2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](CCCCN)N(CC1=CC(=CC=C1)OCC2=CC=CC=C2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C35H40N2O4/c1-39-35(38)34(20-8-9-21-36)37(24-30-16-10-18-32(22-30)40-26-28-12-4-2-5-13-28)25-31-17-11-19-33(23-31)41-27-29-14-6-3-7-15-29/h2-7,10-19,22-23,34H,8-9,20-21,24-27,36H2,1H3/t34-/m0/s1