4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-6-methyl-1-(phenylmethyl)indol-5-yl]sulfanylbutanoic acid

Systemtic Name: 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-6-methyl-1-(phenylmethyl)indol-5-yl]sulfanylbutanoic acid Openeye Name: 4-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-ethyl-6-methyl-indol-5-yl]sulfanylbutanoic acid CAS Name: 4-[[3-(2-amino-2-oxoethyl)-2-ethyl-6-methyl-1-(phenylmethyl)-5-indolyl]thio]butanoic acid IUPAC Name: 4-[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-6-methylindol-5-yl]sulfanylbutanoic acid Traditional Name: 4-[[3-(2-amino-2-keto-ethyl)-1-benzyl-2-ethyl-6-methyl-indol-5-yl]thio]butyric acid Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC(=C(C=C2N1CC3=CC=CC=C3)C)SCCCC(=O)O)CC(=O)N

Isomeric SMILES

CCC1=C(C2=CC(=C(C=C2N1CC3=CC=CC=C3)C)SCCCC(=O)O)CC(=O)N

InChI

InChI=1S/C24H28N2O3S/c1-3-20-19(14-23(25)27)18-13-22(30-11-7-10-24(28)29)16(2)12-21(18)26(20)15-17-8-5-4-6-9-17/h4-6,8-9,12-13H,3,7,10-11,14-15H2,1-2H3,(H2,25,27)(H,28,29)