ethyl 5-[3-(2-azanyl-1-oxidanyl-2-oxidanylidene-ethyl)-2-ethyl-6-methyl-1-(phenylmethyl)indol-5-yl]sulfanylpentanoate

Systemtic Name: ethyl 5-[3-(2-azanyl-1-oxidanyl-2-oxidanylidene-ethyl)-2-ethyl-6-methyl-1-(phenylmethyl)indol-5-yl]sulfanylpentanoate Openeye Name: ethyl 5-[3-(2-amino-1-hydroxy-2-oxo-ethyl)-1-benzyl-2-ethyl-6-methyl-indol-5-yl]sulfanylpentanoate CAS Name: 5-[[3-(2-amino-1-hydroxy-2-oxoethyl)-2-ethyl-6-methyl-1-(phenylmethyl)-5-indolyl]thio]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[3-(2-amino-1-hydroxy-2-oxoethyl)-1-benzyl-2-ethyl-6-methylindol-5-yl]sulfanylpentanoate Traditional Name: 5-[[3-(2-amino-1-hydroxy-2-keto-ethyl)-1-benzyl-2-ethyl-6-methyl-indol-5-yl]thio]valeric acid ethyl ester Formula: C27H34N2O4S MolecularWeight: 482.63486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC(=C(C=C2N1CC3=CC=CC=C3)C)SCCCCC(=O)OCC)C(C(=O)N)O

Isomeric SMILES

CCC1=C(C2=CC(=C(C=C2N1CC3=CC=CC=C3)C)SCCCCC(=O)OCC)C(C(=O)N)O

InChI

InChI=1S/C27H34N2O4S/c1-4-21-25(26(31)27(28)32)20-16-23(34-14-10-9-13-24(30)33-5-2)18(3)15-22(20)29(21)17-19-11-7-6-8-12-19/h6-8,11-12,15-16,26,31H,4-5,9-10,13-14,17H2,1-3H3,(H2,28,32)