5-[bis(azanyl)methylideneamino]-N-[3-[[4-[[3-[5-[bis(azanyl)methylideneamino]pentanoylamino]-2-pyrrolidin-2-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]pentanamide

Systemtic Name: 5-[bis(azanyl)methylideneamino]-N-[3-[[4-[[3-[5-[bis(azanyl)methylideneamino]pentanoylamino]-2-pyrrolidin-2-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]pentanamide Openeye Name: 5-guanidino-N-[3-[[4-[[3-(5-guanidinopentanoylamino)-2-pyrrolidin-2-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]pentanamide CAS Name: 5-(diaminomethylideneamino)-N-[3-[[[4-[[[3-[[5-(diaminomethylideneamino)-1-oxopentyl]amino]-2-(2-pyrrolidinyloxy)-5-(trifluoromethyl)anilino]-oxomethyl]amino]anilino]-oxomethyl]amino]-2-(3-pyrrolidinyloxy)-5-(trifluoromethyl)phenyl]pentanamide IUPAC Name: 5-(diaminomethylideneamino)-N-[3-[[4-[[3-[5-(diaminomethylideneamino)pentanoylamino]-2-pyrrolidin-2-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]pentanamide Traditional Name: 5-guanidino-N-[3-[[4-[[3-(5-guanidinopentanoylamino)-2-pyrrolidin-2-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]valeramide Formula: C42H54F6N14O6 MolecularWeight: 964.958779

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)OC2=C(C=C(C=C2NC(=O)NC3=CC=C(C=C3)NC(=O)NC4=CC(=CC(=C4OC5CCNC5)NC(=O)CCCCN=C(N)N)C(F)(F)F)C(F)(F)F)NC(=O)CCCCN=C(N)N

Isomeric SMILES

C1CC(NC1)OC2=C(C=C(C=C2NC(=O)NC3=CC=C(C=C3)NC(=O)NC4=CC(=CC(=C4OC5CCNC5)NC(=O)CCCCN=C(N)N)C(F)(F)F)C(F)(F)F)NC(=O)CCCCN=C(N)N

InChI

InChI=1S/C42H54F6N14O6/c43-41(44,45)23-18-28(59-32(63)6-1-3-14-55-37(49)50)35(67-27-13-17-53-22-27)30(20-23)61-39(65)57-25-9-11-26(12-10-25)58-40(66)62-31-21-24(42(46,47)48)19-29(36(31)68-34-8-5-16-54-34)60-33(64)7-2-4-15-56-38(51)52/h9-12,18-21,27,34,53-54H,1-8,13-17,22H2,(H,59,63)(H,60,64)(H4,49,50,55)(H4,51,52,56)(H2,57,61,65)(H2,58,62,66)