6-dimethylsulfonio-5-oxidanylidene-2-[[5-oxidanylidene-2-(phenylmethoxycarbonylamino)-5-(propylamino)pentanoyl]amino]hexanoate

Systemtic Name: 6-dimethylsulfonio-5-oxidanylidene-2-[[5-oxidanylidene-2-(phenylmethoxycarbonylamino)-5-(propylamino)pentanoyl]amino]hexanoate Openeye Name: 2-[[2-(benzyloxycarbonylamino)-5-oxo-5-(propylamino)pentanoyl]amino]-6-dimethylsulfonio-5-oxo-hexanoate CAS Name: 6-dimethylsulfonio-2-[[1,5-dioxo-2-(phenylmethoxycarbonylamino)-5-(propylamino)pentyl]amino]-5-oxohexanoate IUPAC Name: 6-dimethylsulfonio-5-oxo-2-[[5-oxo-2-(phenylmethoxycarbonylamino)-5-(propylamino)pentanoyl]amino]hexanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-5-keto-5-(propylamino)pentanoyl]amino]-6-dimethylsulfonio-5-keto-hexanoate Formula: C24H35N3O7S MolecularWeight: 509.6156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCC(C(=O)NC(CCC(=O)C[S+](C)C)C(=O)[O-])NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCNC(=O)CCC(C(=O)NC(CCC(=O)C[S+](C)C)C(=O)[O-])NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C24H35N3O7S/c1-4-14-25-21(29)13-12-19(27-24(33)34-15-17-8-6-5-7-9-17)22(30)26-20(23(31)32)11-10-18(28)16-35(2)3/h5-9,19-20H,4,10-16H2,1-3H3,(H3-,25,26,27,29,30,31,32,33)