ethyl 2-azanyl-3-[1-[1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidin-2-yl]carbonylindol-3-yl]propanoate

Systemtic Name: ethyl 2-azanyl-3-[1-[1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidin-2-yl]carbonylindol-3-yl]propanoate Openeye Name: ethyl 3-[1-[1-(3-acetylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carbonyl]indol-3-yl]-2-amino-propanoate CAS Name: 3-[1-[[1-[3-(acetylthio)-2-methyl-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-3-indolyl]-2-aminopropanoic acid ethyl ester IUPAC Name: ethyl 3-[1-[1-(3-acetylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carbonyl]indol-3-yl]-2-aminopropanoate Traditional Name: 3-[1-[1-[3-(acetylthio)-2-methyl-propanoyl]prolyl]indol-3-yl]-2-amino-propionic acid ethyl ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CN(C2=CC=CC=C21)C(=O)C3CCCN3C(=O)C(C)CSC(=O)C)N

Isomeric SMILES

CCOC(=O)C(CC1=CN(C2=CC=CC=C21)C(=O)C3CCCN3C(=O)C(C)CSC(=O)C)N

InChI

InChI=1S/C24H31N3O5S/c1-4-32-24(31)19(25)12-17-13-27(20-9-6-5-8-18(17)20)23(30)21-10-7-11-26(21)22(29)15(2)14-33-16(3)28/h5-6,8-9,13,15,19,21H,4,7,10-12,14,25H2,1-3H3