N-[5-azanyl-1-(4-azanylbutylamino)-6-oxidanyl-4-oxidanylidene-heptan-3-yl]-N-(2,3-dimethoxyphenyl)carbonyl-2,3-dimethoxy-benzamide

Systemtic Name: N-[5-azanyl-1-(4-azanylbutylamino)-6-oxidanyl-4-oxidanylidene-heptan-3-yl]-N-(2,3-dimethoxyphenyl)carbonyl-2,3-dimethoxy-benzamide Openeye Name: N-[3-amino-1-[2-(4-aminobutylamino)ethyl]-4-hydroxy-2-oxo-pentyl]-N-(2,3-dimethoxybenzoyl)-2,3-dimethoxy-benzamide CAS Name: N-[5-amino-1-(4-aminobutylamino)-6-hydroxy-4-oxoheptan-3-yl]-N-[(2,3-dimethoxyphenyl)-oxomethyl]-2,3-dimethoxybenzamide IUPAC Name: N-[5-amino-1-(4-aminobutylamino)-6-hydroxy-4-oxoheptan-3-yl]-N-(2,3-dimethoxybenzoyl)-2,3-dimethoxybenzamide Traditional Name: N-[3-amino-1-[2-(4-aminobutylamino)ethyl]-4-hydroxy-2-keto-pentyl]-2,3-dimethoxy-N-o-veratroyl-benzamide Formula: C29H42N4O8 MolecularWeight: 574.66578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C(CCNCCCCN)N(C(=O)C1=C(C(=CC=C1)OC)OC)C(=O)C2=C(C(=CC=C2)OC)OC)N)O

Isomeric SMILES

CC(C(C(=O)C(CCNCCCCN)N(C(=O)C1=C(C(=CC=C1)OC)OC)C(=O)C2=C(C(=CC=C2)OC)OC)N)O

InChI

InChI=1S/C29H42N4O8/c1-18(34)24(31)25(35)21(14-17-32-16-7-6-15-30)33(28(36)19-10-8-12-22(38-2)26(19)40-4)29(37)20-11-9-13-23(39-3)27(20)41-5/h8-13,18,21,24,32,34H,6-7,14-17,30-31H2,1-5H3