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

Systemtic Name: (2S)-6-[[(2S)-2-[(4-methoxyphenyl)carbamoylamino]-3-phenyl-propanoyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid Openeye Name: (2S)-2-[isobutyl(p-tolylsulfonyl)amino]-6-[[(2S)-2-[(4-methoxyphenyl)carbamoylamino]-3-phenyl-propanoyl]amino]hexanoic acid CAS Name: (2S)-6-[[(2S)-2-[[(4-methoxyanilino)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid IUPAC Name: (2S)-6-[[(2S)-2-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid Traditional Name: (2S)-2-[isobutyl(tosyl)amino]-6-[[(2S)-2-[(4-methoxyphenyl)carbamoylamino]-3-phenyl-propanoyl]amino]hexanoic acid Formula: C34H44N4O7S MolecularWeight: 652.80076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCCNC(=O)C(CC2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C34H44N4O7S/c1-24(2)23-38(46(43,44)29-19-13-25(3)14-20-29)31(33(40)41)12-8-9-21-35-32(39)30(22-26-10-6-5-7-11-26)37-34(42)36-27-15-17-28(45-4)18-16-27/h5-7,10-11,13-20,24,30-31H,8-9,12,21-23H2,1-4H3,(H,35,39)(H,40,41)(H2,36,37,42)/t30-,31-/m0/s1