2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid

Systemtic Name: 2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid Openeye Name: 2-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid CAS Name: 2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]hexanoic acid IUPAC Name: 2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid Traditional Name: 6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[isobutyl(sulfanilyl)amino]hexanoic acid Formula: C31H37N3O6S MolecularWeight: 579.70698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CCCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)N

Isomeric SMILES

CC(C)CN(C(CCCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)N

InChI

InChI=1S/C31H37N3O6S/c1-21(2)19-34(41(38,39)23-16-14-22(32)15-17-23)29(30(35)36)13-7-8-18-33-31(37)40-20-28-26-11-5-3-9-24(26)25-10-4-6-12-27(25)28/h3-6,9-12,14-17,21,28-29H,7-8,13,18-20,32H2,1-2H3,(H,33,37)(H,35,36)