methyl 2-[[3-methyl-5-[(5-oxidanylidenepyrrolidin-2-yl)methylamino]pentoxy]-(3-phenylpropanoyl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[3-methyl-5-[(5-oxidanylidenepyrrolidin-2-yl)methylamino]pentoxy]-(3-phenylpropanoyl)amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[3-methyl-5-[(5-oxopyrrolidin-2-yl)methylamino]pentoxy]-(3-phenylpropanoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[3-methyl-5-[(5-oxo-2-pyrrolidinyl)methylamino]pentoxy]-(1-oxo-3-phenylpropyl)amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[3-methyl-5-[(5-oxopyrrolidin-2-yl)methylamino]pentoxy]-(3-phenylpropanoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[hydrocinnamoyl-[5-[(5-ketopyrrolidin-2-yl)methylamino]-3-methyl-pentoxy]amino]-4-(methylthio)butyric acid methyl ester Formula: C26H41N3O5S MolecularWeight: 507.68584

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNCC1CCC(=O)N1)CCON(C(CCSC)C(=O)OC)C(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(CCNCC1CCC(=O)N1)CCON(C(CCSC)C(=O)OC)C(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C26H41N3O5S/c1-20(13-16-27-19-22-10-11-24(30)28-22)14-17-34-29(23(15-18-35-3)26(32)33-2)25(31)12-9-21-7-5-4-6-8-21/h4-8,20,22-23,27H,9-19H2,1-3H3,(H,28,30)