methyl (2S)-3-[2-(methylamino)ethyl-[(3-methylphenyl)methyl]amino]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-[2-(methylamino)ethyl-[(3-methylphenyl)methyl]amino]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-[2-(methylamino)ethyl-(m-tolylmethyl)amino]propanoate CAS Name: (2S)-3-[2-(methylamino)ethyl-[(3-methylphenyl)methyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[2-(methylamino)ethyl-[(3-methylphenyl)methyl]amino]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[2-(methylamino)ethyl-(3-methylbenzyl)amino]propionic acid methyl ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN(CCNC)CC(C(=O)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)CN(CCNC)C[C@@H](C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H31N3O4/c1-18-8-7-11-20(14-18)15-26(13-12-24-2)16-21(22(27)29-3)25-23(28)30-17-19-9-5-4-6-10-19/h4-11,14,21,24H,12-13,15-17H2,1-3H3,(H,25,28)/t21-/m0/s1