5-(tert-butylsulfamoyl)-2-[(4-methoxyphenyl)methylsulfanyl]-3-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-(tert-butylsulfamoyl)-2-[(4-methoxyphenyl)methylsulfanyl]-3-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-5-(tert-butylsulfamoyl)-2-[(4-methoxyphenyl)methylsulfanyl]pentanoic acid CAS Name: 5-(tert-butylsulfamoyl)-2-[(4-methoxyphenyl)methylthio]-3-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-(tert-butylsulfamoyl)-2-[(4-methoxyphenyl)methylsulfanyl]-3-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-5-(tert-butylsulfamoyl)-2-(p-anisylthio)valeric acid Formula: C25H34N2O7S2 MolecularWeight: 538.67666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)CCC(C(C(=O)O)SCC1=CC=C(C=C1)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NS(=O)(=O)CCC(C(C(=O)O)SCC1=CC=C(C=C1)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H34N2O7S2/c1-25(2,3)27-36(31,32)15-14-21(26-24(30)34-16-18-8-6-5-7-9-18)22(23(28)29)35-17-19-10-12-20(33-4)13-11-19/h5-13,21-22,27H,14-17H2,1-4H3,(H,26,30)(H,28,29)