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

Systemtic Name: (2S)-6-[[(2S)-2-(2-hydroxyethylcarbamoylamino)-3-phenyl-propanoyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid Openeye Name: (2S)-6-[[(2S)-2-(2-hydroxyethylcarbamoylamino)-3-phenyl-propanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid CAS Name: (2S)-6-[[(2S)-2-[[(2-hydroxyethylamino)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid IUPAC Name: (2S)-6-[[(2S)-2-(2-hydroxyethylcarbamoylamino)-3-phenylpropanoyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid Traditional Name: (2S)-6-[[(2S)-2-(2-hydroxyethylcarbamoylamino)-3-phenyl-propanoyl]amino]-2-[isobutyl(tosyl)amino]hexanoic acid Formula: C29H42N4O7S MolecularWeight: 590.73138

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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)NCCO)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)NCCO)C(=O)O

InChI

InChI=1S/C29H42N4O7S/c1-21(2)20-33(41(39,40)24-14-12-22(3)13-15-24)26(28(36)37)11-7-8-16-30-27(35)25(32-29(38)31-17-18-34)19-23-9-5-4-6-10-23/h4-6,9-10,12-15,21,25-26,34H,7-8,11,16-20H2,1-3H3,(H,30,35)(H,36,37)(H2,31,32,38)/t25-,26-/m0/s1