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

Systemtic Name: ethyl 5-[3-(2-azanyl-1-oxidanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethyl)-6-propan-2-yl-indol-5-yl]sulfanylpentanoate Openeye Name: ethyl 5-[3-(2-amino-1-hydroxy-2-oxo-ethyl)-1-benzyl-2-ethyl-6-isopropyl-indol-5-yl]sulfanylpentanoate CAS Name: 5-[[3-(2-amino-1-hydroxy-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-6-propan-2-yl-5-indolyl]thio]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[3-(2-amino-1-hydroxy-2-oxoethyl)-1-benzyl-2-ethyl-6-propan-2-ylindol-5-yl]sulfanylpentanoate Traditional Name: 5-[[3-(2-amino-1-hydroxy-2-keto-ethyl)-1-benzyl-2-ethyl-6-isopropyl-indol-5-yl]thio]valeric acid ethyl ester Formula: C29H38N2O4S MolecularWeight: 510.68802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N2O4S/c1-5-23-27(28(33)29(30)34)22-17-25(36-15-11-10-14-26(32)35-6-2)21(19(3)4)16-24(22)31(23)18-20-12-8-7-9-13-20/h7-9,12-13,16-17,19,28,33H,5-6,10-11,14-15,18H2,1-4H3,(H2,30,34)