4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2,7-dimethyl-1-(phenylmethyl)indol-5-yl]sulfanylbutanoic acid

Systemtic Name: 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2,7-dimethyl-1-(phenylmethyl)indol-5-yl]sulfanylbutanoic acid Openeye Name: 4-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2,7-dimethyl-indol-5-yl]sulfanylbutanoic acid CAS Name: 4-[[3-(2-amino-2-oxoethyl)-2,7-dimethyl-1-(phenylmethyl)-5-indolyl]thio]butanoic acid IUPAC Name: 4-[3-(2-amino-2-oxoethyl)-1-benzyl-2,7-dimethylindol-5-yl]sulfanylbutanoic acid Traditional Name: 4-[[3-(2-amino-2-keto-ethyl)-1-benzyl-2,7-dimethyl-indol-5-yl]thio]butyric acid Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)SCCCC(=O)O)C(=C(N2CC3=CC=CC=C3)C)CC(=O)N

Isomeric SMILES

CC1=C2C(=CC(=C1)SCCCC(=O)O)C(=C(N2CC3=CC=CC=C3)C)CC(=O)N

InChI

InChI=1S/C23H26N2O3S/c1-15-11-18(29-10-6-9-22(27)28)12-20-19(13-21(24)26)16(2)25(23(15)20)14-17-7-4-3-5-8-17/h3-5,7-8,11-12H,6,9-10,13-14H2,1-2H3,(H2,24,26)(H,27,28)