methyl (3S)-2-ethyl-3-[2-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]ethyl]hex-5-ynoate

Systemtic Name: methyl (3S)-2-ethyl-3-[2-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]ethyl]hex-5-ynoate Openeye Name: methyl (3S)-3-[2-[benzyl(tert-butoxycarbonyl)amino]ethyl]-2-ethyl-hex-5-ynoate CAS Name: (3S)-2-ethyl-3-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]ethyl]-5-hexynoic acid methyl ester IUPAC Name: methyl (3S)-3-[2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-2-ethylhex-5-ynoate Traditional Name: (3S)-3-[2-[benzyl(tert-butoxycarbonyl)amino]ethyl]-2-ethyl-hex-5-ynoic acid methyl ester Formula: C23H33NO4 MolecularWeight: 387.51242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CCN(CC1=CC=CC=C1)C(=O)OC(C)(C)C)CC#C)C(=O)OC

Isomeric SMILES

CCC([C@H](CCN(CC1=CC=CC=C1)C(=O)OC(C)(C)C)CC#C)C(=O)OC

InChI

InChI=1S/C23H33NO4/c1-7-12-19(20(8-2)21(25)27-6)15-16-24(22(26)28-23(3,4)5)17-18-13-10-9-11-14-18/h1,9-11,13-14,19-20H,8,12,15-17H2,2-6H3/t19-,20?/m0/s1