ethyl (2S)-7-oxidanylidene-2-(phenylmethoxycarbonylamino)-7-[2-[1-(phenylmethyl)piperidin-4-yl]ethylamino]heptanoate

Systemtic Name: ethyl (2S)-7-oxidanylidene-2-(phenylmethoxycarbonylamino)-7-[2-[1-(phenylmethyl)piperidin-4-yl]ethylamino]heptanoate Openeye Name: ethyl (2S)-2-(benzyloxycarbonylamino)-7-[2-(1-benzyl-4-piperidyl)ethylamino]-7-oxo-heptanoate CAS Name: (2S)-7-oxo-2-(phenylmethoxycarbonylamino)-7-[2-[1-(phenylmethyl)-4-piperidinyl]ethylamino]heptanoic acid ethyl ester IUPAC Name: ethyl (2S)-7-[2-(1-benzylpiperidin-4-yl)ethylamino]-7-oxo-2-(phenylmethoxycarbonylamino)heptanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-7-[2-(1-benzyl-4-piperidyl)ethylamino]-7-keto-enanthic acid ethyl ester Formula: C31H43N3O5 MolecularWeight: 537.69022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCC(=O)NCCC1CCN(CC1)CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H](CCCCC(=O)NCCC1CCN(CC1)CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C31H43N3O5/c1-2-38-30(36)28(33-31(37)39-24-27-13-7-4-8-14-27)15-9-10-16-29(35)32-20-17-25-18-21-34(22-19-25)23-26-11-5-3-6-12-26/h3-8,11-14,25,28H,2,9-10,15-24H2,1H3,(H,32,35)(H,33,37)/t28-/m0/s1