2-[[3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-isopropyl-indol-2-yl]-2,2-dimethyl-propanoyl]amino]acetic acid CAS Name: 2-[[3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-2-indolyl]-2,2-dimethyl-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoyl]amino]acetic acid Traditional Name: 2-[[3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-indol-2-yl]-2,2-dimethyl-propanoyl]amino]acetic acid Formula: C29H37ClN2O3S MolecularWeight: 529.13368

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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)(C)C(=O)NCC(=O)O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H37ClN2O3S/c1-18(2)20-10-13-23-22(14-20)26(36-28(3,4)5)24(15-29(6,7)27(35)31-16-25(33)34)32(23)17-19-8-11-21(30)12-9-19/h8-14,18H,15-17H2,1-7H3,(H,31,35)(H,33,34)