6-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid

Systemtic Name: 6-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid Openeye Name: 6-(indan-1-ylcarbamoylamino)-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid CAS Name: 6-[[(2,3-dihydro-1H-inden-1-ylamino)-oxomethyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid IUPAC Name: 6-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid Traditional Name: 6-(indan-1-ylcarbamoylamino)-2-[isobutyl(tosyl)amino]hexanoic acid Formula: C27H37N3O5S MolecularWeight: 515.66478

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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)NC2CCC3=CC=CC=C23)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCCNC(=O)NC2CCC3=CC=CC=C23)C(=O)O

InChI

InChI=1S/C27H37N3O5S/c1-19(2)18-30(36(34,35)22-14-11-20(3)12-15-22)25(26(31)32)10-6-7-17-28-27(33)29-24-16-13-21-8-4-5-9-23(21)24/h4-5,8-9,11-12,14-15,19,24-25H,6-7,10,13,16-18H2,1-3H3,(H,31,32)(H2,28,29,33)