bis(phenylmethyl) 2-[1-[[bis(azanyl)methylideneamino]-piperidin-3-yl-amino]ethyl]-2-oxidanyl-propanedioate

Systemtic Name: bis(phenylmethyl) 2-[1-[[bis(azanyl)methylideneamino]-piperidin-3-yl-amino]ethyl]-2-oxidanyl-propanedioate Openeye Name: dibenzyl 2-[1-[guanidino(3-piperidyl)amino]ethyl]-2-hydroxy-propanedioate CAS Name: 2-[1-[(diaminomethylideneamino)-(3-piperidinyl)amino]ethyl]-2-hydroxypropanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[1-[(diaminomethylideneamino)-piperidin-3-ylamino]ethyl]-2-hydroxypropanedioate Traditional Name: 2-[1-[guanidino(3-piperidyl)amino]ethyl]-2-hydroxy-malonic acid dibenzyl ester Formula: C25H33N5O5 MolecularWeight: 483.56002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OCC1=CC=CC=C1)(C(=O)OCC2=CC=CC=C2)O)N(C3CCCNC3)N=C(N)N

Isomeric SMILES

CC(C(C(=O)OCC1=CC=CC=C1)(C(=O)OCC2=CC=CC=C2)O)N(C3CCCNC3)N=C(N)N

InChI

InChI=1S/C25H33N5O5/c1-18(30(29-24(26)27)21-13-8-14-28-15-21)25(33,22(31)34-16-19-9-4-2-5-10-19)23(32)35-17-20-11-6-3-7-12-20/h2-7,9-12,18,21,28,33H,8,13-17H2,1H3,(H4,26,27,29)