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

Systemtic Name: 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethyl)-6-propan-2-yl-indol-5-yl]sulfanylbutanoic acid Openeye Name: 4-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-ethyl-6-isopropyl-indol-5-yl]sulfanylbutanoic acid CAS Name: 4-[[3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-6-propan-2-yl-5-indolyl]thio]butanoic acid IUPAC Name: 4-[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-6-propan-2-ylindol-5-yl]sulfanylbutanoic acid Traditional Name: 4-[[3-(2-amino-2-keto-ethyl)-1-benzyl-2-ethyl-6-isopropyl-indol-5-yl]thio]butyric acid Formula: C26H32N2O3S MolecularWeight: 452.60888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O3S/c1-4-22-21(15-25(27)29)20-14-24(32-12-8-11-26(30)31)19(17(2)3)13-23(20)28(22)16-18-9-6-5-7-10-18/h5-7,9-10,13-14,17H,4,8,11-12,15-16H2,1-3H3,(H2,27,29)(H,30,31)