(2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-[[(2S)-2-[2-(4-methoxyphenyl)ethanoylamino]-3-phenyl-propanoyl]amino]hexanoic acid

Systemtic Name: (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-[[(2S)-2-[2-(4-methoxyphenyl)ethanoylamino]-3-phenyl-propanoyl]amino]hexanoic acid Openeye Name: (2S)-2-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-[[(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenyl-propanoyl]amino]hexanoic acid CAS Name: (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-[[(2S)-2-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]hexanoic acid IUPAC Name: (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-[[(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]hexanoic acid Traditional Name: (2S)-2-[isobutyl(sulfanilyl)amino]-6-[[(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenyl-propanoyl]amino]hexanoic acid Formula: C34H44N4O7S MolecularWeight: 652.80076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)CC2=CC=C(C=C2)OC)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CC(C)CN([C@@H](CCCCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CC2=CC=C(C=C2)OC)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C34H44N4O7S/c1-24(2)23-38(46(43,44)29-18-14-27(35)15-19-29)31(34(41)42)11-7-8-20-36-33(40)30(21-25-9-5-4-6-10-25)37-32(39)22-26-12-16-28(45-3)17-13-26/h4-6,9-10,12-19,24,30-31H,7-8,11,20-23,35H2,1-3H3,(H,36,40)(H,37,39)(H,41,42)/t30-,31-/m0/s1