(2S)-6-[[(2S)-3-(1H-indol-3-yl)-2-[2-(4-methoxyphenyl)ethanoylamino]propanoyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid

Systemtic Name: (2S)-6-[[(2S)-3-(1H-indol-3-yl)-2-[2-(4-methoxyphenyl)ethanoylamino]propanoyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid Openeye Name: (2S)-6-[[(2S)-3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid CAS Name: (2S)-6-[[(2S)-3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-1-oxopropyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid IUPAC Name: (2S)-6-[[(2S)-3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid Traditional Name: (2S)-6-[[(2S)-3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoyl]amino]-2-[isobutyl(tosyl)amino]hexanoic acid Formula: C37H46N4O7S MolecularWeight: 690.84874

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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=CNC3=CC=CC=C32)NC(=O)CC4=CC=C(C=C4)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=CNC3=CC=CC=C32)NC(=O)CC4=CC=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C37H46N4O7S/c1-25(2)24-41(49(46,47)30-18-12-26(3)13-19-30)34(37(44)45)11-7-8-20-38-36(43)33(22-28-23-39-32-10-6-5-9-31(28)32)40-35(42)21-27-14-16-29(48-4)17-15-27/h5-6,9-10,12-19,23,25,33-34,39H,7-8,11,20-22,24H2,1-4H3,(H,38,43)(H,40,42)(H,44,45)/t33-,34-/m0/s1