2-azanyl-N-[4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-5-oxidanylidene-5-piperidin-1-yl-pentanamide dihydrochloride

Systemtic Name: 2-azanyl-N-[4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-5-oxidanylidene-5-piperidin-1-yl-pentanamide dihydrochloride Openeye Name: 2-amino-N-[1-benzyl-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-5-oxo-5-(1-piperidyl)pentanamide dihydrochloride CAS Name: 2-amino-N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-5-oxo-5-(1-piperidinyl)pentanamide dihydrochloride IUPAC Name: 2-amino-N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-5-oxo-5-piperidin-1-ylpentanamide dihydrochloride Traditional Name: 2-amino-N-[1-benzyl-2-hydroxy-3-(m-anisylamino)propyl]-5-keto-5-piperidino-valeramide dihydrochloride Formula: C28H42Cl2N4O4 MolecularWeight: 569.56348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNCC(C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N3CCCCC3)N)O.Cl.Cl

Isomeric SMILES

COC1=CC=CC(=C1)CNCC(C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N3CCCCC3)N)O.Cl.Cl

InChI

InChI=1S/C28H40N4O4.2ClH/c1-36-23-12-8-11-22(17-23)19-30-20-26(33)25(18-21-9-4-2-5-10-21)31-28(35)24(29)13-14-27(34)32-15-6-3-7-16-32;;/h2,4-5,8-12,17,24-26,30,33H,3,6-7,13-16,18-20,29H2,1H3,(H,31,35);2*1H