(2S)-5-(4-naphthalen-2-ylpiperazin-1-yl)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: (2S)-5-(4-naphthalen-2-ylpiperazin-1-yl)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-5-[4-(2-naphthyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-5-[4-(2-naphthalenyl)-1-piperazinyl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (2S)-5-(4-naphthalen-2-ylpiperazin-1-yl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-keto-5-[4-(2-naphthyl)piperazino]valeric acid Formula: C27H29N3O5 MolecularWeight: 475.53626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=CC=CC=C3C=C2)C(=O)CCC(C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC3=CC=CC=C3C=C2)C(=O)CC[C@@H](C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O5/c31-25(13-12-24(26(32)33)28-27(34)35-19-20-6-2-1-3-7-20)30-16-14-29(15-17-30)23-11-10-21-8-4-5-9-22(21)18-23/h1-11,18,24H,12-17,19H2,(H,28,34)(H,32,33)/t24-/m0/s1