2-[[2-[(4-dimethylaminophenyl)carbamoyl-pentyl-amino]-2,3-dihydro-1H-inden-5-yl]sulfanyl]-2-methyl-propanoic acid

Systemtic Name: 2-[[2-[(4-dimethylaminophenyl)carbamoyl-pentyl-amino]-2,3-dihydro-1H-inden-5-yl]sulfanyl]-2-methyl-propanoic acid Openeye Name: 2-[2-[(4-dimethylaminophenyl)carbamoyl-pentyl-amino]indan-5-yl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[2-[[[4-(dimethylamino)anilino]-oxomethyl]-pentylamino]-2,3-dihydro-1H-inden-5-yl]thio]-2-methylpropanoic acid IUPAC Name: 2-[[2-[(4-dimethylaminophenyl)carbamoyl-pentylamino]-2,3-dihydro-1H-inden-5-yl]sulfanyl]-2-methylpropanoic acid Traditional Name: 2-[[2-[amyl-[(4-dimethylaminophenyl)carbamoyl]amino]indan-5-yl]thio]-2-methyl-propionic acid Formula: C27H37N3O3S MolecularWeight: 483.66598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1CC2=C(C1)C=C(C=C2)SC(C)(C)C(=O)O)C(=O)NC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCCCCN(C1CC2=C(C1)C=C(C=C2)SC(C)(C)C(=O)O)C(=O)NC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C27H37N3O3S/c1-6-7-8-15-30(26(33)28-21-10-12-22(13-11-21)29(4)5)23-16-19-9-14-24(18-20(19)17-23)34-27(2,3)25(31)32/h9-14,18,23H,6-8,15-17H2,1-5H3,(H,28,33)(H,31,32)