(NZ)-N-[3-[[3-(2-aminoethyl)-5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]pentyl]amino]-3-methylbutan-2-ylidene]hydroxylamine;5-[2-[4-[(2-butyl-4-chloro-5-ethylimidazol-1-yl)methyl]phenyl]phenyl]-2-[(4-methylphenyl)-diphenylmethyl]tetrazole;5-[2-[4-[(2-butyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanamine;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanol;1-[chloro(diphenyl)methyl]-4-methylbenzene;dichloromethane;dichlorotin;1,4-dioxane-2,6-dione;9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[[2-[2-[[1-[[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methylamino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate

C264H282Cl10N40O16Sn — CID 172969926

IUPAC(NZ)-N-[3-[[3-(2-aminoethyl)-5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]pentyl]amino]-3-methylbutan-2-ylidene]hydroxylamine;5-[2-[4-[(2-butyl-4-chloro-5-ethylimidazol-1-yl)methyl]phenyl]phenyl]-2-[(4-methylphenyl)-diphenylmethyl]tetrazole;5-[2-[4-[(2-butyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanamine;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanol;1-[chloro(diphenyl)methyl]-4-methylbenzene;dichloromethane;dichlorotin;1,4-dioxane-2,6-dione;9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[[2-[2-[[1-[[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methylamino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESC/C(=N/O)C(C)(C)NCCC(CCN)CCNC(C)(C)/C(C)=N\O.CCCCc1nc(Cl)c(CC)n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccc(C)cc3)n2)cc1.CCCCc1nc(Cl)c(CN)n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccc(C)cc3)n2)cc1.CCCCc1nc(Cl)c(CNC(=O)C(CCC)NC(=O)COCC(=O)NCCOCCOCCOCCNC(=O)OCC2c3ccccc3-c3ccccc32)n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccc(C)cc3)n2)cc1.CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccc(C)cc3)n2)cc1.CCCCc1nc(Cl)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.Cc1ccc(C(Cl)(c2ccccc2)c2ccccc2)cc1.ClCCl.Cl[Sn]Cl.O=C1COCC(=O)O1
InChIInChI=1S/C74H81ClN10O9.C43H41ClN6.C42H40ClN7.C42H39ClN6O.C21H21ClN6.C20H17Cl.C17H37N5O2.C4H4O4.CH2Cl2.2ClH.Sn/c1-4-6-30-67-80-70(75)66(84(67)48-53-33-35-54(36-34-53)58-24-13-18-29-63(58)71-81-83-85(82-71)74(55-20-9-7-10-21-55,56-22-11-8-12-23-56)57-37-31-52(3)32-38-57)47-78-72(88)65(19-5-2)79-69(87)51-93-50-68(86)76-39-41-90-43-45-92-46-44-91-42-40-77-73(89)94-49-64-61-27-16-14-25-59(61)60-26-15-17-28-62(60)64;1-4-6-21-40-45-41(44)39(5-2)49(40)30-32-24-26-33(27-25-32)37-19-13-14-20-38(37)42-46-48-50(47-42)43(34-15-9-7-10-16-34,35-17-11-8-12-18-35)36-28-22-31(3)23-29-36;1-3-4-19-39-45-40(43)38(28-44)49(39)29-31-22-24-32(25-23-31)36-17-11-12-18-37(36)41-46-48-50(47-41)42(33-13-7-5-8-14-33,34-15-9-6-10-16-34)35-26-20-30(2)21-27-35;1-3-4-19-39-44-40(43)38(29-50)48(39)28-31-22-24-32(25-23-31)36-17-11-12-18-37(36)41-45-47-49(46-41)42(33-13-7-5-8-14-33,34-15-9-6-10-16-34)35-26-20-30(2)21-27-35;1-2-3-8-20-23-19(22)14-28(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)21-24-26-27-25-21;1-16-12-14-19(15-13-16)20(21,17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-13(21-23)16(3,4)19-11-8-15(7-10-18)9-12-20-17(5,6)14(2)22-24;5-3-1-7-2-4(6)8-3;2-1-3;;;/h7-18,20-29,31-38,64-65H,4-6,19,30,39-51H2,1-3H3,(H,76,86)(H,77,89)(H,78,88)(H,79,87);7-20,22-29H,4-6,21,30H2,1-3H3;5-18,20-27H,3-4,19,28-29,44H2,1-2H3;5-18,20-27,50H,3-4,19,28-29H2,1-2H3;4-7,9-12,14H,2-3,8,13H2,1H3,(H,24,25,26,27);2-15H,1H3;15,19-20,23-24H,7-12,18H2,1-6H3;1-2H2;1H2;2*1H;/q;;;;;;;;;;;+2/p-2/b;;;;;;21-13-,22-14-;;;;;
InChIKeySDCPFTRUDSPSFI-GAAXDYLBSA-L
MW4744.66 g/mol
LogP52.70
Rot. Bonds93

About (NZ)-N-[3-[[3-(2-aminoethyl)-5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]pentyl]amino]-3-methylbutan-2-ylidene]hydroxylamine;5-[2-[4-[(2-butyl-4-chloro-5-ethylimidazol-1-yl)methyl]phenyl]phenyl]-2-[(4-methylphenyl)-diphenylmethyl]tetrazole;5-[2-[4-[(2-butyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanamine;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanol;1-[chloro(diphenyl)methyl]-4-methylbenzene;dichloromethane;dichlorotin;1,4-dioxane-2,6-dione;9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[[2-[2-[[1-[[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methylamino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate

(NZ)-N-[3-[[3-(2-aminoethyl)-5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]pentyl]amino]-3-methylbutan-2-ylidene]hydroxylamine;5-[2-[4-[(2-butyl-4-chloro-5-ethylimidazol-1-yl)methyl]phenyl]phenyl]-2-[(4-methylphenyl)-diphenylmethyl]tetrazole;5-[2-[4-[(2-butyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanamine;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanol;1-[chloro(diphenyl)methyl]-4-methylbenzene;dichloromethane;dichlorotin;1,4-dioxane-2,6-dione;9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[[2-[2-[[1-[[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methylamino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 172969926) has the molecular formula C264H282Cl10N40O16Sn and a molecular weight of 4744.66 g/mol. Its IUPAC name is (NZ)-N-[3-[[3-(2-aminoethyl)-5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]pentyl]amino]-3-methylbutan-2-ylidene]hydroxylamine;5-[2-[4-[(2-butyl-4-chloro-5-ethylimidazol-1-yl)methyl]phenyl]phenyl]-2-[(4-methylphenyl)-diphenylmethyl]tetrazole;5-[2-[4-[(2-butyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanamine;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanol;1-[chloro(diphenyl)methyl]-4-methylbenzene;dichloromethane;dichlorotin;1,4-dioxane-2,6-dione;9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[[2-[2-[[1-[[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methylamino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Name(NZ)-N-[3-[[3-(2-aminoethyl)-5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]pentyl]amino]-3-methylbutan-2-ylidene]hydroxylamine;5-[2-[4-[(2-butyl-4-chloro-5-ethylimidazol-1-yl)methyl]phenyl]phenyl]-2-[(4-methylphenyl)-diphenylmethyl]tetrazole;5-[2-[4-[(2-butyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanamine;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanol;1-[chloro(diphenyl)methyl]-4-methylbenzene;dichloromethane;dichlorotin;1,4-dioxane-2,6-dione;9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[[2-[2-[[1-[[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methylamino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
PubChem CID172969926
Molecular FormulaC264H282Cl10N40O16Sn
Molecular Weight4744.66 g/mol
Exact Mass4737.84
IUPAC Name(NZ)-N-[3-[[3-(2-aminoethyl)-5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]pentyl]amino]-3-methylbutan-2-ylidene]hydroxylamine;5-[2-[4-[(2-butyl-4-chloro-5-ethylimidazol-1-yl)methyl]phenyl]phenyl]-2-[(4-methylphenyl)-diphenylmethyl]tetrazole;5-[2-[4-[(2-butyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanamine;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanol;1-[chloro(diphenyl)methyl]-4-methylbenzene;dichloromethane;dichlorotin;1,4-dioxane-2,6-dione;9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[[2-[2-[[1-[[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methylamino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESC/C(=N/O)C(C)(C)NCCC(CCN)CCNC(C)(C)/C(C)=N\O.CCCCc1nc(Cl)c(CC)n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccc(C)cc3)n2)cc1.CCCCc1nc(Cl)c(CN)n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccc(C)cc3)n2)cc1.CCCCc1nc(Cl)c(CNC(=O)C(CCC)NC(=O)COCC(=O)NCCOCCOCCOCCNC(=O)OCC2c3ccccc3-c3ccccc32)n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccc(C)cc3)n2)cc1.CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccc(C)cc3)n2)cc1.CCCCc1nc(Cl)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.Cc1ccc(C(Cl)(c2ccccc2)c2ccccc2)cc1.ClCCl.Cl[Sn]Cl.O=C1COCC(=O)O1
InChIInChI=1S/C74H81ClN10O9.C43H41ClN6.C42H40ClN7.C42H39ClN6O.C21H21ClN6.C20H17Cl.C17H37N5O2.C4H4O4.CH2Cl2.2ClH.Sn/c1-4-6-30-67-80-70(75)66(84(67)48-53-33-35-54(36-34-53)58-24-13-18-29-63(58)71-81-83-85(82-71)74(55-20-9-7-10-21-55,56-22-11-8-12-23-56)57-37-31-52(3)32-38-57)47-78-72(88)65(19-5-2)79-69(87)51-93-50-68(86)76-39-41-90-43-45-92-46-44-91-42-40-77-73(89)94-49-64-61-27-16-14-25-59(61)60-26-15-17-28-62(60)64;1-4-6-21-40-45-41(44)39(5-2)49(40)30-32-24-26-33(27-25-32)37-19-13-14-20-38(37)42-46-48-50(47-42)43(34-15-9-7-10-16-34,35-17-11-8-12-18-35)36-28-22-31(3)23-29-36;1-3-4-19-39-45-40(43)38(28-44)49(39)29-31-22-24-32(25-23-31)36-17-11-12-18-37(36)41-46-48-50(47-41)42(33-13-7-5-8-14-33,34-15-9-6-10-16-34)35-26-20-30(2)21-27-35;1-3-4-19-39-44-40(43)38(29-50)48(39)28-31-22-24-32(25-23-31)36-17-11-12-18-37(36)41-45-47-49(46-41)42(33-13-7-5-8-14-33,34-15-9-6-10-16-34)35-26-20-30(2)21-27-35;1-2-3-8-20-23-19(22)14-28(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)21-24-26-27-25-21;1-16-12-14-19(15-13-16)20(21,17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-13(21-23)16(3,4)19-11-8-15(7-10-18)9-12-20-17(5,6)14(2)22-24;5-3-1-7-2-4(6)8-3;2-1-3;;;/h7-18,20-29,31-38,64-65H,4-6,19,30,39-51H2,1-3H3,(H,76,86)(H,77,89)(H,78,88)(H,79,87);7-20,22-29H,4-6,21,30H2,1-3H3;5-18,20-27H,3-4,19,28-29,44H2,1-2H3;5-18,20-27,50H,3-4,19,28-29H2,1-2H3;4-7,9-12,14H,2-3,8,13H2,1H3,(H,24,25,26,27);2-15H,1H3;15,19-20,23-24H,7-12,18H2,1-6H3;1-2H2;1H2;2*1H;/q;;;;;;;;;;;+2/p-2/b;;;;;;21-13-,22-14-;;;;;
InChIKeySDCPFTRUDSPSFI-GAAXDYLBSA-L
XLogP52.70
TPSA694.62 Ų
H-Bond Donors12
H-Bond Acceptors51
Rotatable Bonds93
Heavy Atoms331
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004744.66
LogP ≤ 552.70
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1051

Analyze (NZ)-N-[3-[[3-(2-aminoethyl)-5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]pentyl]amino]-3-methylbutan-2-ylidene]hydroxylamine;5-[2-[4-[(2-butyl-4-chloro-5-ethylimidazol-1-yl)methyl]phenyl]phenyl]-2-[(4-methylphenyl)-diphenylmethyl]tetrazole;5-[2-[4-[(2-butyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanamine;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanol;1-[chloro(diphenyl)methyl]-4-methylbenzene;dichloromethane;dichlorotin;1,4-dioxane-2,6-dione;9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[[2-[2-[[1-[[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methylamino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate with MolForge

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Related Compounds

N'-[2-[2-[2-[[2-[2-[[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methylamino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethyl]-N-[5-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]-3-[2-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]pentyl]pentanediamide
CID 91126313
N-[[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]-3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]pentyl]-N'-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentanediamide
CID 172917362
(2S)-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]-2-[[2-[[2-[2-[[3-[2-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-5-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]-methylamino]pentyl]amino]-2-oxoethoxy]acetyl]amino]acetyl]amino]hexanamide;technetium-99
CID 11446272
(2S)-2-acetamido-5-[[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methylamino]-5-oxopentanoic acid
CID 67820136
3-[3,4-bis(phenylmethoxy)phenyl]-N-[[2-butyl-5-chloro-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]propanamide
CID 57409568
2-butyl-5-chloro-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 59778746
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 3961
2-butyl-5-chloro-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;ethyl 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 158986717
5-[2-[4-[(2-butyl-4-chloro-5-methylimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;2-butyl-5-chloro-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 91159630
2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde;[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 167599021
potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride
CID 173289798
2-benzyl-N-[[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]-3-sulfanylpropanamide
CID 87382305

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[3-[[3-(2-aminoethyl)-5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]pentyl]amino]-3-methylbutan-2-ylidene]hydroxylamine;5-[2-[4-[(2-butyl-4-chloro-5-ethylimidazol-1-yl)methyl]phenyl]phenyl]-2-[(4-methylphenyl)-diphenylmethyl]tetrazole;5-[2-[4-[(2-butyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanamine;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanol;1-[chloro(diphenyl)methyl]-4-methylbenzene;dichloromethane;dichlorotin;1,4-dioxane-2,6-dione;9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[[2-[2-[[1-[[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methylamino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of (NZ)-N-[3-[[3-(2-aminoethyl)-5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]pentyl]amino]-3-methylbutan-2-ylidene]hydroxylamine;5-[2-[4-[(2-butyl-4-chloro-5-ethylimidazol-1-yl)methyl]phenyl]phenyl]-2-[(4-methylphenyl)-diphenylmethyl]tetrazole;5-[2-[4-[(2-butyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanamine;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanol;1-[chloro(diphenyl)methyl]-4-methylbenzene;dichloromethane;dichlorotin;1,4-dioxane-2,6-dione;9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[[2-[2-[[1-[[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methylamino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 172969926) is (NZ)-N-[3-[[3-(2-aminoethyl)-5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]pentyl]amino]-3-methylbutan-2-ylidene]hydroxylamine;5-[2-[4-[(2-butyl-4-chloro-5-ethylimidazol-1-yl)methyl]phenyl]phenyl]-2-[(4-methylphenyl)-diphenylmethyl]tetrazole;5-[2-[4-[(2-butyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanamine;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanol;1-[chloro(diphenyl)methyl]-4-methylbenzene;dichloromethane;dichlorotin;1,4-dioxane-2,6-dione;9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[[2-[2-[[1-[[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methylamino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for (NZ)-N-[3-[[3-(2-aminoethyl)-5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]pentyl]amino]-3-methylbutan-2-ylidene]hydroxylamine;5-[2-[4-[(2-butyl-4-chloro-5-ethylimidazol-1-yl)methyl]phenyl]phenyl]-2-[(4-methylphenyl)-diphenylmethyl]tetrazole;5-[2-[4-[(2-butyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanamine;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanol;1-[chloro(diphenyl)methyl]-4-methylbenzene;dichloromethane;dichlorotin;1,4-dioxane-2,6-dione;9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[[2-[2-[[1-[[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methylamino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for (NZ)-N-[3-[[3-(2-aminoethyl)-5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]pentyl]amino]-3-methylbutan-2-ylidene]hydroxylamine;5-[2-[4-[(2-butyl-4-chloro-5-ethylimidazol-1-yl)methyl]phenyl]phenyl]-2-[(4-methylphenyl)-diphenylmethyl]tetrazole;5-[2-[4-[(2-butyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanamine;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanol;1-[chloro(diphenyl)methyl]-4-methylbenzene;dichloromethane;dichlorotin;1,4-dioxane-2,6-dione;9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[[2-[2-[[1-[[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methylamino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate is C/C(=N/O)C(C)(C)NCCC(CCN)CCNC(C)(C)/C(C)=N\O.CCCCc1nc(Cl)c(CC)n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccc(C)cc3)n2)cc1.CCCCc1nc(Cl)c(CN)n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccc(C)cc3)n2)cc1.CCCCc1nc(Cl)c(CNC(=O)C(CCC)NC(=O)COCC(=O)NCCOCCOCCOCCNC(=O)OCC2c3ccccc3-c3ccccc32)n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccc(C)cc3)n2)cc1.CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccc(C)cc3)n2)cc1.CCCCc1nc(Cl)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.Cc1ccc(C(Cl)(c2ccccc2)c2ccccc2)cc1.ClCCl.Cl[Sn]Cl.O=C1COCC(=O)O1.
What is the InChIKey of (NZ)-N-[3-[[3-(2-aminoethyl)-5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]pentyl]amino]-3-methylbutan-2-ylidene]hydroxylamine;5-[2-[4-[(2-butyl-4-chloro-5-ethylimidazol-1-yl)methyl]phenyl]phenyl]-2-[(4-methylphenyl)-diphenylmethyl]tetrazole;5-[2-[4-[(2-butyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanamine;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanol;1-[chloro(diphenyl)methyl]-4-methylbenzene;dichloromethane;dichlorotin;1,4-dioxane-2,6-dione;9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[[2-[2-[[1-[[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methylamino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is SDCPFTRUDSPSFI-GAAXDYLBSA-L. The full InChI is InChI=1S/C74H81ClN10O9.C43H41ClN6.C42H40ClN7.C42H39ClN6O.C21H21ClN6.C20H17Cl.C17H37N5O2.C4H4O4.CH2Cl2.2ClH.Sn/c1-4-6-30-67-80-70(75)66(84(67)48-53-33-35-54(36-34-53)58-24-13-18-29-63(58)71-81-83-85(82-71)74(55-20-9-7-10-21-55,56-22-11-8-12-23-56)57-37-31-52(3)32-38-57)47-78-72(88)65(19-5-2)79-69(87)51-93-50-68(86)76-39-41-90-43-45-92-46-44-91-42-40-77-73(89)94-49-64-61-27-16-14-25-59(61)60-26-15-17-28-62(60)64;1-4-6-21-40-45-41(44)39(5-2)49(40)30-32-24-26-33(27-25-32)37-19-13-14-20-38(37)42-46-48-50(47-42)43(34-15-9-7-10-16-34,35-17-11-8-12-18-35)36-28-22-31(3)23-29-36;1-3-4-19-39-45-40(43)38(28-44)49(39)29-31-22-24-32(25-23-31)36-17-11-12-18-37(36)41-46-48-50(47-41)42(33-13-7-5-8-14-33,34-15-9-6-10-16-34)35-26-20-30(2)21-27-35;1-3-4-19-39-44-40(43)38(29-50)48(39)28-31-22-24-32(25-23-31)36-17-11-12-18-37(36)41-45-47-49(46-41)42(33-13-7-5-8-14-33,34-15-9-6-10-16-34)35-26-20-30(2)21-27-35;1-2-3-8-20-23-19(22)14-28(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)21-24-26-27-25-21;1-16-12-14-19(15-13-16)20(21,17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-13(21-23)16(3,4)19-11-8-15(7-10-18)9-12-20-17(5,6)14(2)22-24;5-3-1-7-2-4(6)8-3;2-1-3;;;/h7-18,20-29,31-38,64-65H,4-6,19,30,39-51H2,1-3H3,(H,76,86)(H,77,89)(H,78,88)(H,79,87);7-20,22-29H,4-6,21,30H2,1-3H3;5-18,20-27H,3-4,19,28-29,44H2,1-2H3;5-18,20-27,50H,3-4,19,28-29H2,1-2H3;4-7,9-12,14H,2-3,8,13H2,1H3,(H,24,25,26,27);2-15H,1H3;15,19-20,23-24H,7-12,18H2,1-6H3;1-2H2;1H2;2*1H;/q;;;;;;;;;;;+2/p-2/b;;;;;;21-13-,22-14-;;;;;.
What are the key properties of (NZ)-N-[3-[[3-(2-aminoethyl)-5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]pentyl]amino]-3-methylbutan-2-ylidene]hydroxylamine;5-[2-[4-[(2-butyl-4-chloro-5-ethylimidazol-1-yl)methyl]phenyl]phenyl]-2-[(4-methylphenyl)-diphenylmethyl]tetrazole;5-[2-[4-[(2-butyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanamine;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanol;1-[chloro(diphenyl)methyl]-4-methylbenzene;dichloromethane;dichlorotin;1,4-dioxane-2,6-dione;9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[[2-[2-[[1-[[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methylamino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
(NZ)-N-[3-[[3-(2-aminoethyl)-5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]pentyl]amino]-3-methylbutan-2-ylidene]hydroxylamine;5-[2-[4-[(2-butyl-4-chloro-5-ethylimidazol-1-yl)methyl]phenyl]phenyl]-2-[(4-methylphenyl)-diphenylmethyl]tetrazole;5-[2-[4-[(2-butyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanamine;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanol;1-[chloro(diphenyl)methyl]-4-methylbenzene;dichloromethane;dichlorotin;1,4-dioxane-2,6-dione;9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[[2-[2-[[1-[[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methylamino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 4744.66 g/mol, XLogP of 52.70, 93 rotatable bonds, 12 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3-[[3-(2-aminoethyl)-5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]pentyl]amino]-3-methylbutan-2-ylidene]hydroxylamine;5-[2-[4-[(2-butyl-4-chloro-5-ethylimidazol-1-yl)methyl]phenyl]phenyl]-2-[(4-methylphenyl)-diphenylmethyl]tetrazole;5-[2-[4-[(2-butyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanamine;[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanol;1-[chloro(diphenyl)methyl]-4-methylbenzene;dichloromethane;dichlorotin;1,4-dioxane-2,6-dione;9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[[2-[2-[[1-[[2-butyl-5-chloro-3-[[4-[2-[2-[(4-methylphenyl)-diphenylmethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methylamino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 172969926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).