methyl 5-[bis(azanyl)methylideneamino]-2-[11-[[3,5-bis[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]phenyl]carbonylamino]undecanoylamino]pentanoate

Systemtic Name: methyl 5-[bis(azanyl)methylideneamino]-2-[11-[[3,5-bis[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]phenyl]carbonylamino]undecanoylamino]pentanoate Openeye Name: methyl 2-[11-[[3,5-bis[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]benzoyl]amino]undecanoylamino]-5-guanidino-pentanoate CAS Name: 2-[[11-[[[3,5-bis[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]phenyl]-oxomethyl]amino]-1-oxoundecyl]amino]-5-(diaminomethylideneamino)pentanoic acid methyl ester IUPAC Name: methyl 2-[11-[[3,5-bis[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]benzoyl]amino]undecanoylamino]-5-(diaminomethylideneamino)pentanoate Traditional Name: 2-[11-[[3,5-bis[(2-imidazolin-2-ylamino)methyl]benzoyl]amino]undecanoylamino]-5-guanidino-valeric acid methyl ester Formula: C33H55N11O4 MolecularWeight: 669.8611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCN=C(N)N)NC(=O)CCCCCCCCCCNC(=O)C1=CC(=CC(=C1)CNC2=NCCN2)CNC3=NCCN3

Isomeric SMILES

COC(=O)C(CCCN=C(N)N)NC(=O)CCCCCCCCCCNC(=O)C1=CC(=CC(=C1)CNC2=NCCN2)CNC3=NCCN3

InChI

InChI=1S/C33H55N11O4/c1-48-30(47)27(11-10-14-37-31(34)35)44-28(45)12-8-6-4-2-3-5-7-9-13-36-29(46)26-20-24(22-42-32-38-15-16-39-32)19-25(21-26)23-43-33-40-17-18-41-33/h19-21,27H,2-18,22-23H2,1H3,(H,36,46)(H,44,45)(H4,34,35,37)(H2,38,39,42)(H2,40,41,43)