(4S)-5-oxidanylidene-4-(phenylmethoxycarbonylamino)-5-(4-quinolin-1-ium-2-ylpiperazin-1-yl)pentanoate

Systemtic Name: (4S)-5-oxidanylidene-4-(phenylmethoxycarbonylamino)-5-(4-quinolin-1-ium-2-ylpiperazin-1-yl)pentanoate Openeye Name: (4S)-4-(benzyloxycarbonylamino)-5-oxo-5-(4-quinolin-1-ium-2-ylpiperazin-1-yl)pentanoate CAS Name: (4S)-5-oxo-4-(phenylmethoxycarbonylamino)-5-[4-(2-quinolin-1-iumyl)-1-piperazinyl]pentanoate IUPAC Name: (4S)-5-oxo-4-(phenylmethoxycarbonylamino)-5-(4-quinolin-1-ium-2-ylpiperazin-1-yl)pentanoate Traditional Name: (4S)-4-(benzyloxycarbonylamino)-5-keto-5-(4-quinolin-1-ium-2-ylpiperazino)valerate Formula: C26H28N4O5 MolecularWeight: 476.52432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C3=CC=CC=C3C=C2)C(=O)C(CCC(=O)[O-])NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=[NH+]C3=CC=CC=C3C=C2)C(=O)[C@H](CCC(=O)[O-])NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O5/c31-24(32)13-11-22(28-26(34)35-18-19-6-2-1-3-7-19)25(33)30-16-14-29(15-17-30)23-12-10-20-8-4-5-9-21(20)27-23/h1-10,12,22H,11,13-18H2,(H,28,34)(H,31,32)/t22-/m0/s1