6-azanyl-2-[bis[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[bis[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl]amino]hexanoic acid Openeye Name: 6-amino-2-[bis[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]hexanoic acid CAS Name: 6-amino-2-[bis[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[bis[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]hexanoic acid Traditional Name: 6-amino-2-[bis(1-tosylprolyl)amino]hexanoic acid Formula: C30H40N4O8S2 MolecularWeight: 648.7906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(C(CCCCN)C(=O)O)C(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(C(CCCCN)C(=O)O)C(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C30H40N4O8S2/c1-21-10-14-23(15-11-21)43(39,40)32-19-5-8-25(32)28(35)34(27(30(37)38)7-3-4-18-31)29(36)26-9-6-20-33(26)44(41,42)24-16-12-22(2)13-17-24/h10-17,25-27H,3-9,18-20,31H2,1-2H3,(H,37,38)