5-(1-aminoethylideneamino)-N-[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]pentanamide;5-(1-aminoethylideneamino)-N-[3-[[4-[[3-[5-(diaminomethylideneamino)pentanoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]pentanamide;1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4,6-dimethoxybenzene-1,3-dicarboxamide;4,6-bis(2-aminoethoxy)-1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide

C169H222F27N51O22S7 — CID 161382936

IUPAC5-(1-aminoethylideneamino)-N-[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]pentanamide;5-(1-aminoethylideneamino)-N-[3-[[4-[[3-[5-(diaminomethylideneamino)pentanoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]pentanamide;1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4,6-dimethoxybenzene-1,3-dicarboxamide;4,6-bis(2-aminoethoxy)-1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
SMILESC/C(N)=N\CCCCC(=O)Nc1cc(C(F)(F)F)cc(NC(=O)Nc2cc(C(F)(F)F)cc(NC(=O)Nc3cc(C(F)(F)F)cc(NC(=O)CCCCN=C(N)N)c3SCCN)c2SCCN)c1SCCN.C/C(N)=N\CCCCC(=O)Nc1cc(C(F)(F)F)cc(NC(=O)Nc2ccc(NC(=O)Nc3cc(C(F)(F)F)cc(NC(=O)CCCCN=C(N)N)c3OC3CCNC3)cc2)c1OC1CCNC1.C/C(N)=N\CCCCC(=O)Nc1cc(C(F)(F)F)cc(NC(=O)c2cc(C(=O)Nc3cc(C(F)(F)F)cc(NC(=O)CCCCN=C(N)N)c3SCCN)c(OCCN)cc2OCCN)c1SCCN.COc1cc(OC)c(C(=O)Nc2cc(C(F)(F)F)cc(NC(=O)CCCC/N=C(\C)N)c2SCCN)cc1C(=O)Nc1cc(C(F)(F)F)cc(NC(=O)CCCCN=C(N)N)c1SCCN
InChIInChI=1S/C43H59F6N13O6S2.C43H55F6N13O6.C42H55F9N14O4S3.C41H53F6N11O6S2/c1-24(54)57-12-4-2-6-35(63)59-29-18-25(42(44,45)46)20-31(37(29)69-16-10-52)61-39(65)27-22-28(34(68-15-9-51)23-33(27)67-14-8-50)40(66)62-32-21-26(43(47,48)49)19-30(38(32)70-17-11-53)60-36(64)7-3-5-13-58-41(55)56;1-24(50)55-14-4-2-6-35(63)59-31-18-25(42(44,45)46)20-33(37(31)67-29-12-16-53-22-29)61-40(65)57-27-8-10-28(11-9-27)58-41(66)62-34-21-26(43(47,48)49)19-32(38(34)68-30-13-17-54-23-30)60-36(64)7-3-5-15-56-39(51)52;1-22(55)58-11-4-2-6-32(66)60-26-16-23(40(43,44)45)18-28(34(26)70-13-8-52)62-38(68)64-30-20-25(42(49,50)51)21-31(36(30)72-15-10-54)65-39(69)63-29-19-24(41(46,47)48)17-27(35(29)71-14-9-53)61-33(67)7-3-5-12-59-37(56)57;1-22(50)53-12-6-4-8-33(59)55-27-16-23(40(42,43)44)18-29(35(27)65-14-10-48)57-37(61)25-20-26(32(64-3)21-31(25)63-2)38(62)58-30-19-24(41(45,46)47)17-28(36(30)66-15-11-49)56-34(60)9-5-7-13-54-39(51)52/h18-23H,2-17,50-53H2,1H3,(H2,54,57)(H,59,63)(H,60,64)(H,61,65)(H,62,66)(H4,55,56,58);8-11,18-21,29-30,53-54H,2-7,12-17,22-23H2,1H3,(H2,50,55)(H,59,63)(H,60,64)(H4,51,52,56)(H2,57,61,65)(H2,58,62,66);16-21H,2-15,52-54H2,1H3,(H2,55,58)(H,60,66)(H,61,67)(H4,56,57,59)(H2,62,64,68)(H2,63,65,69);16-21H,4-15,48-49H2,1-3H3,(H2,50,53)(H,55,59)(H,56,60)(H,57,61)(H,58,62)(H4,51,52,54)
InChIKeyVRYOGCKYVFTZCS-UHFFFAOYSA-N
MW4057.38 g/mol
LogP25.50
Rot. Bonds97

About 5-(1-aminoethylideneamino)-N-[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]pentanamide;5-(1-aminoethylideneamino)-N-[3-[[4-[[3-[5-(diaminomethylideneamino)pentanoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]pentanamide;1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4,6-dimethoxybenzene-1,3-dicarboxamide;4,6-bis(2-aminoethoxy)-1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide

5-(1-aminoethylideneamino)-N-[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]pentanamide;5-(1-aminoethylideneamino)-N-[3-[[4-[[3-[5-(diaminomethylideneamino)pentanoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]pentanamide;1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4,6-dimethoxybenzene-1,3-dicarboxamide;4,6-bis(2-aminoethoxy)-1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide (PubChem CID 161382936) has the molecular formula C169H222F27N51O22S7 and a molecular weight of 4057.38 g/mol. Its IUPAC name is 5-(1-aminoethylideneamino)-N-[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]pentanamide;5-(1-aminoethylideneamino)-N-[3-[[4-[[3-[5-(diaminomethylideneamino)pentanoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]pentanamide;1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4,6-dimethoxybenzene-1,3-dicarboxamide;4,6-bis(2-aminoethoxy)-1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-(1-aminoethylideneamino)-N-[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]pentanamide;5-(1-aminoethylideneamino)-N-[3-[[4-[[3-[5-(diaminomethylideneamino)pentanoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]pentanamide;1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4,6-dimethoxybenzene-1,3-dicarboxamide;4,6-bis(2-aminoethoxy)-1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
PubChem CID161382936
Molecular FormulaC169H222F27N51O22S7
Molecular Weight4057.38 g/mol
Exact Mass4054.54
IUPAC Name5-(1-aminoethylideneamino)-N-[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]pentanamide;5-(1-aminoethylideneamino)-N-[3-[[4-[[3-[5-(diaminomethylideneamino)pentanoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]pentanamide;1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4,6-dimethoxybenzene-1,3-dicarboxamide;4,6-bis(2-aminoethoxy)-1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
SMILESC/C(N)=N\CCCCC(=O)Nc1cc(C(F)(F)F)cc(NC(=O)Nc2cc(C(F)(F)F)cc(NC(=O)Nc3cc(C(F)(F)F)cc(NC(=O)CCCCN=C(N)N)c3SCCN)c2SCCN)c1SCCN.C/C(N)=N\CCCCC(=O)Nc1cc(C(F)(F)F)cc(NC(=O)Nc2ccc(NC(=O)Nc3cc(C(F)(F)F)cc(NC(=O)CCCCN=C(N)N)c3OC3CCNC3)cc2)c1OC1CCNC1.C/C(N)=N\CCCCC(=O)Nc1cc(C(F)(F)F)cc(NC(=O)c2cc(C(=O)Nc3cc(C(F)(F)F)cc(NC(=O)CCCCN=C(N)N)c3SCCN)c(OCCN)cc2OCCN)c1SCCN.COc1cc(OC)c(C(=O)Nc2cc(C(F)(F)F)cc(NC(=O)CCCC/N=C(\C)N)c2SCCN)cc1C(=O)Nc1cc(C(F)(F)F)cc(NC(=O)CCCCN=C(N)N)c1SCCN
InChIInChI=1S/C43H59F6N13O6S2.C43H55F6N13O6.C42H55F9N14O4S3.C41H53F6N11O6S2/c1-24(54)57-12-4-2-6-35(63)59-29-18-25(42(44,45)46)20-31(37(29)69-16-10-52)61-39(65)27-22-28(34(68-15-9-51)23-33(27)67-14-8-50)40(66)62-32-21-26(43(47,48)49)19-30(38(32)70-17-11-53)60-36(64)7-3-5-13-58-41(55)56;1-24(50)55-14-4-2-6-35(63)59-31-18-25(42(44,45)46)20-33(37(31)67-29-12-16-53-22-29)61-40(65)57-27-8-10-28(11-9-27)58-41(66)62-34-21-26(43(47,48)49)19-32(38(34)68-30-13-17-54-23-30)60-36(64)7-3-5-15-56-39(51)52;1-22(55)58-11-4-2-6-32(66)60-26-16-23(40(43,44)45)18-28(34(26)70-13-8-52)62-38(68)64-30-20-25(42(49,50)51)21-31(36(30)72-15-10-54)65-39(69)63-29-19-24(41(46,47)48)17-27(35(29)71-14-9-53)61-33(67)7-3-5-12-59-37(56)57;1-22(50)53-12-6-4-8-33(59)55-27-16-23(40(42,43)44)18-29(35(27)65-14-10-48)57-37(61)25-20-26(32(64-3)21-31(25)63-2)38(62)58-30-19-24(41(45,46)47)17-28(36(30)66-15-11-49)56-34(60)9-5-7-13-54-39(51)52/h18-23H,2-17,50-53H2,1H3,(H2,54,57)(H,59,63)(H,60,64)(H,61,65)(H,62,66)(H4,55,56,58);8-11,18-21,29-30,53-54H,2-7,12-17,22-23H2,1H3,(H2,50,55)(H,59,63)(H,60,64)(H4,51,52,56)(H2,57,61,65)(H2,58,62,66);16-21H,2-15,52-54H2,1H3,(H2,55,58)(H,60,66)(H,61,67)(H4,56,57,59)(H2,62,64,68)(H2,63,65,69);16-21H,4-15,48-49H2,1-3H3,(H2,50,53)(H,55,59)(H,56,60)(H,57,61)(H,58,62)(H4,51,52,54)
InChIKeyVRYOGCKYVFTZCS-UHFFFAOYSA-N
XLogP25.50
TPSA1238.46 Ų
H-Bond Donors43
H-Bond Acceptors48
Rotatable Bonds97
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004057.38
LogP ≤ 525.50
H-Bond Donors ≤ 543
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-(1-aminoethylideneamino)-N-[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]pentanamide;5-(1-aminoethylideneamino)-N-[3-[[4-[[3-[5-(diaminomethylideneamino)pentanoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]pentanamide;1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4,6-dimethoxybenzene-1,3-dicarboxamide;4,6-bis(2-aminoethoxy)-1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide with MolForge

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Related Compounds

5-(diaminomethylideneamino)-N-[3-[[4-[[3-[5-(diaminomethylideneamino)pentanoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]pentanamide
CID 56848441
N-[3-acetamido-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]-5-(1-aminoethylideneamino)pentanamide
CID 143935259
N'-[5-[3-[[2-[4-[[3-[5-(diaminomethylideneamino)pentanoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]anilino]acetyl]amino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)anilino]-5-oxopentyl]carbamimidoyl iodide
CID 162586950
[3-[4-[[3-[5-(diaminomethylideneamino)pentanoylamino]-2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-5-(trifluoromethyl)phenyl]carbamic acid
CID 90217557
4-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]-6-N-[3-[(9-amino-9-iminononanoyl)amino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide
CID 123896823
N-[3-[5-(diaminomethylideneamino)pentanoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]-6-methylpyrimidine-4-carboxamide
CID 118438588
N-[3-[[2-[[2-(2-aminoethylsulfanyl)-3-(5-carbamimidamidopentanoylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-benzothiazol-6-yl]carbamoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]-5-carbamimidamidopentanamide
CID 137052189
4,6-bis(2-aminoethoxy)-1-N,3-N-bis[2-(2-aminoethylsulfanyl)-5-tert-butyl-3-(diaminomethylideneamino)phenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[5-tert-butyl-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]benzene-1,3-dicarboxamide
CID 158819107
1-N,3-N-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]-4,6-bis(2-aminoethoxy)benzene-1,3-dicarboxamide;1-N,3-N-bis[3-[[4-amino-2-(5-aminopentoxy)benzoyl]amino]-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[2-(2-aminoethylsulfanyl)-5-tert-butyl-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[5-tert-butyl-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]benzene-1,3-dicarboxamide
CID 160922621
4-[2-[2-(2-aminoethylsulfanyl)-3-(8-amino-8-imino-2-oxooctyl)-5-(trifluoromethyl)phenyl]acetyl]-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]benzamide
CID 58359439
6-N-[2-(2-aminoethoxy)-3-[5-(1-aminoethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4-N-[2-(2-aminoethoxy)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-bromophenyl]-4-N-[2-(2-aminoethylsulfanyl)-5-bromo-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)phenyl]-4-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]phenyl]-4-N-[5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[2-(2-aminoethylsulfanyl)-4-propylsulfanyl-5-(trifluoromethyl)phenyl]-4-N-[2,4-bis(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide
CID 157063118
4-N-[3-[5-(diaminomethylideneamino)pentanoylamino]-5-(fluoromethyl)-2-pyrrolidin-3-yloxyphenyl]pyrimidine-4,6-dicarboxamide
CID 122591460

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethylideneamino)-N-[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]pentanamide;5-(1-aminoethylideneamino)-N-[3-[[4-[[3-[5-(diaminomethylideneamino)pentanoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]pentanamide;1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4,6-dimethoxybenzene-1,3-dicarboxamide;4,6-bis(2-aminoethoxy)-1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The IUPAC name of 5-(1-aminoethylideneamino)-N-[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]pentanamide;5-(1-aminoethylideneamino)-N-[3-[[4-[[3-[5-(diaminomethylideneamino)pentanoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]pentanamide;1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4,6-dimethoxybenzene-1,3-dicarboxamide;4,6-bis(2-aminoethoxy)-1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide (CID 161382936) is 5-(1-aminoethylideneamino)-N-[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]pentanamide;5-(1-aminoethylideneamino)-N-[3-[[4-[[3-[5-(diaminomethylideneamino)pentanoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]pentanamide;1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4,6-dimethoxybenzene-1,3-dicarboxamide;4,6-bis(2-aminoethoxy)-1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-(1-aminoethylideneamino)-N-[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]pentanamide;5-(1-aminoethylideneamino)-N-[3-[[4-[[3-[5-(diaminomethylideneamino)pentanoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]pentanamide;1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4,6-dimethoxybenzene-1,3-dicarboxamide;4,6-bis(2-aminoethoxy)-1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-(1-aminoethylideneamino)-N-[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]pentanamide;5-(1-aminoethylideneamino)-N-[3-[[4-[[3-[5-(diaminomethylideneamino)pentanoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]pentanamide;1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4,6-dimethoxybenzene-1,3-dicarboxamide;4,6-bis(2-aminoethoxy)-1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide is C/C(N)=N\CCCCC(=O)Nc1cc(C(F)(F)F)cc(NC(=O)Nc2cc(C(F)(F)F)cc(NC(=O)Nc3cc(C(F)(F)F)cc(NC(=O)CCCCN=C(N)N)c3SCCN)c2SCCN)c1SCCN.C/C(N)=N\CCCCC(=O)Nc1cc(C(F)(F)F)cc(NC(=O)Nc2ccc(NC(=O)Nc3cc(C(F)(F)F)cc(NC(=O)CCCCN=C(N)N)c3OC3CCNC3)cc2)c1OC1CCNC1.C/C(N)=N\CCCCC(=O)Nc1cc(C(F)(F)F)cc(NC(=O)c2cc(C(=O)Nc3cc(C(F)(F)F)cc(NC(=O)CCCCN=C(N)N)c3SCCN)c(OCCN)cc2OCCN)c1SCCN.COc1cc(OC)c(C(=O)Nc2cc(C(F)(F)F)cc(NC(=O)CCCC/N=C(\C)N)c2SCCN)cc1C(=O)Nc1cc(C(F)(F)F)cc(NC(=O)CCCCN=C(N)N)c1SCCN.
What is the InChIKey of 5-(1-aminoethylideneamino)-N-[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]pentanamide;5-(1-aminoethylideneamino)-N-[3-[[4-[[3-[5-(diaminomethylideneamino)pentanoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]pentanamide;1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4,6-dimethoxybenzene-1,3-dicarboxamide;4,6-bis(2-aminoethoxy)-1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The InChIKey is VRYOGCKYVFTZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H59F6N13O6S2.C43H55F6N13O6.C42H55F9N14O4S3.C41H53F6N11O6S2/c1-24(54)57-12-4-2-6-35(63)59-29-18-25(42(44,45)46)20-31(37(29)69-16-10-52)61-39(65)27-22-28(34(68-15-9-51)23-33(27)67-14-8-50)40(66)62-32-21-26(43(47,48)49)19-30(38(32)70-17-11-53)60-36(64)7-3-5-13-58-41(55)56;1-24(50)55-14-4-2-6-35(63)59-31-18-25(42(44,45)46)20-33(37(31)67-29-12-16-53-22-29)61-40(65)57-27-8-10-28(11-9-27)58-41(66)62-34-21-26(43(47,48)49)19-32(38(34)68-30-13-17-54-23-30)60-36(64)7-3-5-15-56-39(51)52;1-22(55)58-11-4-2-6-32(66)60-26-16-23(40(43,44)45)18-28(34(26)70-13-8-52)62-38(68)64-30-20-25(42(49,50)51)21-31(36(30)72-15-10-54)65-39(69)63-29-19-24(41(46,47)48)17-27(35(29)71-14-9-53)61-33(67)7-3-5-12-59-37(56)57;1-22(50)53-12-6-4-8-33(59)55-27-16-23(40(42,43)44)18-29(35(27)65-14-10-48)57-37(61)25-20-26(32(64-3)21-31(25)63-2)38(62)58-30-19-24(41(45,46)47)17-28(36(30)66-15-11-49)56-34(60)9-5-7-13-54-39(51)52/h18-23H,2-17,50-53H2,1H3,(H2,54,57)(H,59,63)(H,60,64)(H,61,65)(H,62,66)(H4,55,56,58);8-11,18-21,29-30,53-54H,2-7,12-17,22-23H2,1H3,(H2,50,55)(H,59,63)(H,60,64)(H4,51,52,56)(H2,57,61,65)(H2,58,62,66);16-21H,2-15,52-54H2,1H3,(H2,55,58)(H,60,66)(H,61,67)(H4,56,57,59)(H2,62,64,68)(H2,63,65,69);16-21H,4-15,48-49H2,1-3H3,(H2,50,53)(H,55,59)(H,56,60)(H,57,61)(H,58,62)(H4,51,52,54).
What are the key properties of 5-(1-aminoethylideneamino)-N-[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]pentanamide;5-(1-aminoethylideneamino)-N-[3-[[4-[[3-[5-(diaminomethylideneamino)pentanoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]pentanamide;1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4,6-dimethoxybenzene-1,3-dicarboxamide;4,6-bis(2-aminoethoxy)-1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
5-(1-aminoethylideneamino)-N-[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]pentanamide;5-(1-aminoethylideneamino)-N-[3-[[4-[[3-[5-(diaminomethylideneamino)pentanoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]pentanamide;1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4,6-dimethoxybenzene-1,3-dicarboxamide;4,6-bis(2-aminoethoxy)-1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide has a molecular weight of 4057.38 g/mol, XLogP of 25.50, 97 rotatable bonds, 43 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethylideneamino)-N-[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]carbamoylamino]-5-(trifluoromethyl)phenyl]pentanamide;5-(1-aminoethylideneamino)-N-[3-[[4-[[3-[5-(diaminomethylideneamino)pentanoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamoylamino]-2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]pentanamide;1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4,6-dimethoxybenzene-1,3-dicarboxamide;4,6-bis(2-aminoethoxy)-1-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 161382936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).