5-(aminocarbonylamino)-6-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-indol-2-yl]-5-methyl-hexanoic acid

Systemtic Name: 5-(aminocarbonylamino)-6-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-indol-2-yl]-5-methyl-hexanoic acid Openeye Name: 6-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-isopropyl-indol-2-yl]-5-methyl-5-ureido-hexanoic acid CAS Name: 6-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-2-indolyl]-5-(carbamoylamino)-5-methylhexanoic acid IUPAC Name: 6-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-5-(carbamoylamino)-5-methylhexanoic acid Traditional Name: 6-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-indol-2-yl]-5-methyl-5-ureido-hexanoic acid Formula: C30H40ClN3O3S MolecularWeight: 558.1749

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(CCCC(=O)O)NC(=O)N)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(CCCC(=O)O)NC(=O)N)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C30H40ClN3O3S/c1-19(2)21-11-14-24-23(16-21)27(38-29(3,4)5)25(34(24)18-20-9-12-22(31)13-10-20)17-30(6,33-28(32)37)15-7-8-26(35)36/h9-14,16,19H,7-8,15,17-18H2,1-6H3,(H,35,36)(H3,32,33,37)