6-dimethylsulfonio-5-oxidanylidene-2-[[5-oxidanylidene-2-(phenylmethoxycarbonylamino)-5-piperidin-1-yl-pentanoyl]amino]hexanoate

Systemtic Name: 6-dimethylsulfonio-5-oxidanylidene-2-[[5-oxidanylidene-2-(phenylmethoxycarbonylamino)-5-piperidin-1-yl-pentanoyl]amino]hexanoate Openeye Name: 2-[[2-(benzyloxycarbonylamino)-5-oxo-5-(1-piperidyl)pentanoyl]amino]-6-dimethylsulfonio-5-oxo-hexanoate CAS Name: 6-dimethylsulfonio-2-[[1,5-dioxo-2-(phenylmethoxycarbonylamino)-5-(1-piperidinyl)pentyl]amino]-5-oxohexanoate IUPAC Name: 6-dimethylsulfonio-5-oxo-2-[[5-oxo-2-(phenylmethoxycarbonylamino)-5-piperidin-1-ylpentanoyl]amino]hexanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-5-keto-5-piperidino-pentanoyl]amino]-6-dimethylsulfonio-5-keto-hexanoate Formula: C26H37N3O7S MolecularWeight: 535.65288

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)CC(=O)CCC(C(=O)[O-])NC(=O)C(CCC(=O)N1CCCCC1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[S+](C)CC(=O)CCC(C(=O)[O-])NC(=O)C(CCC(=O)N1CCCCC1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C26H37N3O7S/c1-37(2)18-20(30)11-12-22(25(33)34)27-24(32)21(13-14-23(31)29-15-7-4-8-16-29)28-26(35)36-17-19-9-5-3-6-10-19/h3,5-6,9-10,21-22H,4,7-8,11-18H2,1-2H3,(H2-,27,28,32,33,34,35)