2-azanyl-N-[1-[2-(2-azanylethyl)-2-methanoyl-pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-N-methyl-butanediamide

Systemtic Name: 2-azanyl-N-[1-[2-(2-azanylethyl)-2-methanoyl-pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-N-methyl-butanediamide Openeye Name: 2-amino-N-[2-[2-(2-aminoethyl)-2-formyl-pyrrolidin-1-yl]-1-benzyl-2-oxo-ethyl]-N-methyl-butanediamide CAS Name: 2-amino-N-[1-[2-(2-aminoethyl)-2-formyl-1-pyrrolidinyl]-1-oxo-3-phenylpropan-2-yl]-N-methylbutanediamide IUPAC Name: 2-amino-N-[1-[2-(2-aminoethyl)-2-formylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-N-methylbutanediamide Traditional Name: 2-amino-N-[2-[2-(2-aminoethyl)-2-formyl-pyrrolidino]-1-benzyl-2-keto-ethyl]-N-methyl-succinamide Formula: C21H31N5O4 MolecularWeight: 417.50194

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C(=O)N2CCCC2(CCN)C=O)C(=O)C(CC(=O)N)N

Isomeric SMILES

CN(C(CC1=CC=CC=C1)C(=O)N2CCCC2(CCN)C=O)C(=O)C(CC(=O)N)N

InChI

InChI=1S/C21H31N5O4/c1-25(19(29)16(23)13-18(24)28)17(12-15-6-3-2-4-7-15)20(30)26-11-5-8-21(26,14-27)9-10-22/h2-4,6-7,14,16-17H,5,8-13,22-23H2,1H3,(H2,24,28)