7-[carbamimidoyl(phenylmethoxycarbonyl)amino]heptyl 2-azanyl-6-(3-oxidanylpropyl)-4-undecyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: 7-[carbamimidoyl(phenylmethoxycarbonyl)amino]heptyl 2-azanyl-6-(3-oxidanylpropyl)-4-undecyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 7-[benzyloxycarbonyl(carbamimidoyl)amino]heptyl 2-amino-6-(3-hydroxypropyl)-4-undecyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-amino-6-(3-hydroxypropyl)-4-undecyl-1,4-dihydropyrimidine-5-carboxylic acid 7-[carbamimidoyl(phenylmethoxycarbonyl)amino]heptyl ester IUPAC Name: 7-[carbamimidoyl(phenylmethoxycarbonyl)amino]heptyl 2-amino-6-(3-hydroxypropyl)-4-undecyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-amino-6-(3-hydroxypropyl)-4-undecyl-1,4-dihydropyrimidine-5-carboxylic acid 7-[amidino(carbobenzoxy)amino]heptyl ester Formula: C35H58N6O5 MolecularWeight: 642.87222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1C(=C(NC(=N1)N)CCCO)C(=O)OCCCCCCCN(C(=N)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCC1C(=C(NC(=N1)N)CCCO)C(=O)OCCCCCCCN(C(=N)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C35H58N6O5/c1-2-3-4-5-6-7-8-10-16-22-29-31(30(23-19-25-42)40-34(38)39-29)32(43)45-26-18-12-9-11-17-24-41(33(36)37)35(44)46-27-28-20-14-13-15-21-28/h13-15,20-21,29,42H,2-12,16-19,22-27H2,1H3,(H3,36,37)(H3,38,39,40)