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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)SCCCC(=O)O)CC(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)SCCCC(=O)O)CC(=O)N

InChI

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