[4-[2-amino-3-[6-[[4-[3-[4-[[[5-[[2-amino-3-[4-[2-hydroxy-5-[[4-(phenylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-6-[2-amino-3-[4-[2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxy-4-oxohexanoyl]amino]methyl]cyclohexanecarbonyl]oxy-2-methoxypropoxy]carbonylcyclohexyl]methylamino]-2-[[2-amino-3-[3-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxy-4-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-3,6-dioxohexoxy]-3-oxopropyl]-2-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl] 2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoate

C217H203N35O57S8 — CID 58942931

IUPAC[4-[2-amino-3-[6-[[4-[3-[4-[[[5-[[2-amino-3-[4-[2-hydroxy-5-[[4-(phenylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-6-[2-amino-3-[4-[2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxy-4-oxohexanoyl]amino]methyl]cyclohexanecarbonyl]oxy-2-methoxypropoxy]carbonylcyclohexyl]methylamino]-2-[[2-amino-3-[3-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxy-4-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-3,6-dioxohexoxy]-3-oxopropyl]-2-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl] 2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoate
SMILESCOC(COC(=O)C1CCC(CNC(=O)CCC(=O)C(COC(=O)C(N)Cc2ccc(OC(=O)c3cc(/N=N\c4ccc(S(=O)(=O)Nc5ccccn5)cc4)ccc3O)c(OC(=O)c3cc(NNc4ccc(S(=O)(=O)Nc5ccccn5)cc4)ccc3O)c2)COC(=O)C(N)Cc2ccc(OC(=O)c3cc(/N=N/c4ccc(S(=O)(=O)Nc5ccccc5)cc4)ccc3O)c(OC(=O)c3cc(NNc4ccc(S(=O)(=O)Nc5ccccn5)cc4)ccc3O)c2)CC1)COC(=O)C1CCC(CNC(=O)CCC(=O)C(COC(=O)C(N)Cc2ccc(OC(=O)c3cc(NNc4ccc(S(=O)(=O)Nc5ccccn5)cc4)ccc3O)c(OC(=O)c3cc(NNc4ccc(S(=O)(=O)Nc5ccccc5)cc4)ccc3O)c2)COC(=O)C(N)Cc2ccc(OC(=O)c3cc(NNc4ccc(S(=O)(=O)Nc5ccccn5)cc4)ccc3O)c(OC(=O)c3cc(NNc4ccc(S(=O)(=O)Nc5ccccc5)cc4)ccc3O)c2)CC1
InChIInChI=1S/C217H203N35O57S8/c1-295-158(127-300-204(265)135-40-32-129(33-41-135)121-227-202(263)98-92-179(253)137(123-296-214(275)175(218)105-131-37-95-190(303-207(268)168-114-151(61-85-182(168)256)238-232-142-50-74-162(75-51-142)313(285,286)248-197-27-11-16-100-222-197)193(109-131)306-210(271)171-117-154(64-88-185(171)259)241-230-140-46-70-160(71-47-140)311(281,282)246-148-23-7-3-8-24-148)124-297-215(276)176(219)106-132-38-96-191(304-208(269)169-115-152(62-86-183(169)257)239-233-143-52-76-163(77-53-143)314(287,288)249-198-28-12-17-101-223-198)194(110-132)307-211(272)172-118-155(65-89-186(172)260)242-231-141-48-72-161(73-49-141)312(283,284)247-149-25-9-4-10-26-149)128-301-205(266)136-42-34-130(35-43-136)122-228-203(264)99-93-180(254)138(125-298-216(277)177(220)107-133-36-94-189(302-206(267)167-113-150(60-84-181(167)255)237-229-139-44-68-159(69-45-139)310(279,280)245-147-21-5-2-6-22-147)195(111-133)308-212(273)173-119-156(66-90-187(173)261)243-235-145-56-80-165(81-57-145)316(291,292)251-200-30-14-19-103-225-200)126-299-217(278)178(221)108-134-39-97-192(305-209(270)170-116-153(63-87-184(170)258)240-234-144-54-78-164(79-55-144)315(289,290)250-199-29-13-18-102-224-199)196(112-134)309-213(274)174-120-157(67-91-188(174)262)244-236-146-58-82-166(83-59-146)317(293,294)252-201-31-15-20-104-226-201/h2-31,36-39,44-91,94-97,100-104,109-120,129-130,135-138,158,175-178,230-233,235-236,238-239,241-247,255-262H,32-35,40-43,92-93,98-99,105-108,121-128,218-221H2,1H3,(H,222,248)(H,223,249)(H,224,250)(H,225,251)(H,226,252)(H,227,263)(H,228,264)/b237-229+,240-234-
InChIKeyAXVKRMYNUSMFGG-CPOVAEENSA-N
MW4469.73 g/mol
LogP28.56
Rot. Bonds101

About [4-[2-amino-3-[6-[[4-[3-[4-[[[5-[[2-amino-3-[4-[2-hydroxy-5-[[4-(phenylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-6-[2-amino-3-[4-[2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxy-4-oxohexanoyl]amino]methyl]cyclohexanecarbonyl]oxy-2-methoxypropoxy]carbonylcyclohexyl]methylamino]-2-[[2-amino-3-[3-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxy-4-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-3,6-dioxohexoxy]-3-oxopropyl]-2-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl] 2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoate

[4-[2-amino-3-[6-[[4-[3-[4-[[[5-[[2-amino-3-[4-[2-hydroxy-5-[[4-(phenylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-6-[2-amino-3-[4-[2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxy-4-oxohexanoyl]amino]methyl]cyclohexanecarbonyl]oxy-2-methoxypropoxy]carbonylcyclohexyl]methylamino]-2-[[2-amino-3-[3-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxy-4-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-3,6-dioxohexoxy]-3-oxopropyl]-2-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl] 2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoate (PubChem CID 58942931) has the molecular formula C217H203N35O57S8 and a molecular weight of 4469.73 g/mol. Its IUPAC name is [4-[2-amino-3-[6-[[4-[3-[4-[[[5-[[2-amino-3-[4-[2-hydroxy-5-[[4-(phenylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-6-[2-amino-3-[4-[2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxy-4-oxohexanoyl]amino]methyl]cyclohexanecarbonyl]oxy-2-methoxypropoxy]carbonylcyclohexyl]methylamino]-2-[[2-amino-3-[3-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxy-4-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-3,6-dioxohexoxy]-3-oxopropyl]-2-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl] 2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoate.

Molecular Properties

Compound Name[4-[2-amino-3-[6-[[4-[3-[4-[[[5-[[2-amino-3-[4-[2-hydroxy-5-[[4-(phenylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-6-[2-amino-3-[4-[2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxy-4-oxohexanoyl]amino]methyl]cyclohexanecarbonyl]oxy-2-methoxypropoxy]carbonylcyclohexyl]methylamino]-2-[[2-amino-3-[3-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxy-4-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-3,6-dioxohexoxy]-3-oxopropyl]-2-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl] 2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoate
PubChem CID58942931
Molecular FormulaC217H203N35O57S8
Molecular Weight4469.73 g/mol
Exact Mass4466.18
IUPAC Name[4-[2-amino-3-[6-[[4-[3-[4-[[[5-[[2-amino-3-[4-[2-hydroxy-5-[[4-(phenylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-6-[2-amino-3-[4-[2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxy-4-oxohexanoyl]amino]methyl]cyclohexanecarbonyl]oxy-2-methoxypropoxy]carbonylcyclohexyl]methylamino]-2-[[2-amino-3-[3-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxy-4-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-3,6-dioxohexoxy]-3-oxopropyl]-2-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl] 2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoate
SMILESCOC(COC(=O)C1CCC(CNC(=O)CCC(=O)C(COC(=O)C(N)Cc2ccc(OC(=O)c3cc(/N=N\c4ccc(S(=O)(=O)Nc5ccccn5)cc4)ccc3O)c(OC(=O)c3cc(NNc4ccc(S(=O)(=O)Nc5ccccn5)cc4)ccc3O)c2)COC(=O)C(N)Cc2ccc(OC(=O)c3cc(/N=N/c4ccc(S(=O)(=O)Nc5ccccc5)cc4)ccc3O)c(OC(=O)c3cc(NNc4ccc(S(=O)(=O)Nc5ccccn5)cc4)ccc3O)c2)CC1)COC(=O)C1CCC(CNC(=O)CCC(=O)C(COC(=O)C(N)Cc2ccc(OC(=O)c3cc(NNc4ccc(S(=O)(=O)Nc5ccccn5)cc4)ccc3O)c(OC(=O)c3cc(NNc4ccc(S(=O)(=O)Nc5ccccc5)cc4)ccc3O)c2)COC(=O)C(N)Cc2ccc(OC(=O)c3cc(NNc4ccc(S(=O)(=O)Nc5ccccn5)cc4)ccc3O)c(OC(=O)c3cc(NNc4ccc(S(=O)(=O)Nc5ccccc5)cc4)ccc3O)c2)CC1
InChIInChI=1S/C217H203N35O57S8/c1-295-158(127-300-204(265)135-40-32-129(33-41-135)121-227-202(263)98-92-179(253)137(123-296-214(275)175(218)105-131-37-95-190(303-207(268)168-114-151(61-85-182(168)256)238-232-142-50-74-162(75-51-142)313(285,286)248-197-27-11-16-100-222-197)193(109-131)306-210(271)171-117-154(64-88-185(171)259)241-230-140-46-70-160(71-47-140)311(281,282)246-148-23-7-3-8-24-148)124-297-215(276)176(219)106-132-38-96-191(304-208(269)169-115-152(62-86-183(169)257)239-233-143-52-76-163(77-53-143)314(287,288)249-198-28-12-17-101-223-198)194(110-132)307-211(272)172-118-155(65-89-186(172)260)242-231-141-48-72-161(73-49-141)312(283,284)247-149-25-9-4-10-26-149)128-301-205(266)136-42-34-130(35-43-136)122-228-203(264)99-93-180(254)138(125-298-216(277)177(220)107-133-36-94-189(302-206(267)167-113-150(60-84-181(167)255)237-229-139-44-68-159(69-45-139)310(279,280)245-147-21-5-2-6-22-147)195(111-133)308-212(273)173-119-156(66-90-187(173)261)243-235-145-56-80-165(81-57-145)316(291,292)251-200-30-14-19-103-225-200)126-299-217(278)178(221)108-134-39-97-192(305-209(270)170-116-153(63-87-184(170)258)240-234-144-54-78-164(79-55-144)315(289,290)250-199-29-13-18-102-224-199)196(112-134)309-213(274)174-120-157(67-91-188(174)262)244-236-146-58-82-166(83-59-146)317(293,294)252-201-31-15-20-104-226-201/h2-31,36-39,44-91,94-97,100-104,109-120,129-130,135-138,158,175-178,230-233,235-236,238-239,241-247,255-262H,32-35,40-43,92-93,98-99,105-108,121-128,218-221H2,1H3,(H,222,248)(H,223,249)(H,224,250)(H,225,251)(H,226,252)(H,227,263)(H,228,264)/b237-229+,240-234-
InChIKeyAXVKRMYNUSMFGG-CPOVAEENSA-N
XLogP28.56
TPSA1363.30 Ų
H-Bond Donors34
H-Bond Acceptors82
Rotatable Bonds101
Heavy Atoms317
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004469.73
LogP ≤ 528.56
H-Bond Donors ≤ 534
H-Bond Acceptors ≤ 1082

Analyze [4-[2-amino-3-[6-[[4-[3-[4-[[[5-[[2-amino-3-[4-[2-hydroxy-5-[[4-(phenylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-6-[2-amino-3-[4-[2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxy-4-oxohexanoyl]amino]methyl]cyclohexanecarbonyl]oxy-2-methoxypropoxy]carbonylcyclohexyl]methylamino]-2-[[2-amino-3-[3-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxy-4-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-3,6-dioxohexoxy]-3-oxopropyl]-2-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl] 2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-3-[6-[[4-[3-[4-[[[5-[[2-amino-3-[4-[2-hydroxy-5-[[4-(phenylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-6-[2-amino-3-[4-[2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxy-4-oxohexanoyl]amino]methyl]cyclohexanecarbonyl]oxy-2-methoxypropoxy]carbonylcyclohexyl]methylamino]-2-[[2-amino-3-[3-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxy-4-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-3,6-dioxohexoxy]-3-oxopropyl]-2-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl] 2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoate?
The IUPAC name of [4-[2-amino-3-[6-[[4-[3-[4-[[[5-[[2-amino-3-[4-[2-hydroxy-5-[[4-(phenylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-6-[2-amino-3-[4-[2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxy-4-oxohexanoyl]amino]methyl]cyclohexanecarbonyl]oxy-2-methoxypropoxy]carbonylcyclohexyl]methylamino]-2-[[2-amino-3-[3-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxy-4-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-3,6-dioxohexoxy]-3-oxopropyl]-2-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl] 2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoate (CID 58942931) is [4-[2-amino-3-[6-[[4-[3-[4-[[[5-[[2-amino-3-[4-[2-hydroxy-5-[[4-(phenylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-6-[2-amino-3-[4-[2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxy-4-oxohexanoyl]amino]methyl]cyclohexanecarbonyl]oxy-2-methoxypropoxy]carbonylcyclohexyl]methylamino]-2-[[2-amino-3-[3-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxy-4-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-3,6-dioxohexoxy]-3-oxopropyl]-2-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl] 2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoate.
What is the SMILES notation for [4-[2-amino-3-[6-[[4-[3-[4-[[[5-[[2-amino-3-[4-[2-hydroxy-5-[[4-(phenylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-6-[2-amino-3-[4-[2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxy-4-oxohexanoyl]amino]methyl]cyclohexanecarbonyl]oxy-2-methoxypropoxy]carbonylcyclohexyl]methylamino]-2-[[2-amino-3-[3-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxy-4-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-3,6-dioxohexoxy]-3-oxopropyl]-2-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl] 2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoate?
The canonical SMILES for [4-[2-amino-3-[6-[[4-[3-[4-[[[5-[[2-amino-3-[4-[2-hydroxy-5-[[4-(phenylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-6-[2-amino-3-[4-[2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxy-4-oxohexanoyl]amino]methyl]cyclohexanecarbonyl]oxy-2-methoxypropoxy]carbonylcyclohexyl]methylamino]-2-[[2-amino-3-[3-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxy-4-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-3,6-dioxohexoxy]-3-oxopropyl]-2-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl] 2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoate is COC(COC(=O)C1CCC(CNC(=O)CCC(=O)C(COC(=O)C(N)Cc2ccc(OC(=O)c3cc(/N=N\c4ccc(S(=O)(=O)Nc5ccccn5)cc4)ccc3O)c(OC(=O)c3cc(NNc4ccc(S(=O)(=O)Nc5ccccn5)cc4)ccc3O)c2)COC(=O)C(N)Cc2ccc(OC(=O)c3cc(/N=N/c4ccc(S(=O)(=O)Nc5ccccc5)cc4)ccc3O)c(OC(=O)c3cc(NNc4ccc(S(=O)(=O)Nc5ccccn5)cc4)ccc3O)c2)CC1)COC(=O)C1CCC(CNC(=O)CCC(=O)C(COC(=O)C(N)Cc2ccc(OC(=O)c3cc(NNc4ccc(S(=O)(=O)Nc5ccccn5)cc4)ccc3O)c(OC(=O)c3cc(NNc4ccc(S(=O)(=O)Nc5ccccc5)cc4)ccc3O)c2)COC(=O)C(N)Cc2ccc(OC(=O)c3cc(NNc4ccc(S(=O)(=O)Nc5ccccn5)cc4)ccc3O)c(OC(=O)c3cc(NNc4ccc(S(=O)(=O)Nc5ccccc5)cc4)ccc3O)c2)CC1.
What is the InChIKey of [4-[2-amino-3-[6-[[4-[3-[4-[[[5-[[2-amino-3-[4-[2-hydroxy-5-[[4-(phenylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-6-[2-amino-3-[4-[2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxy-4-oxohexanoyl]amino]methyl]cyclohexanecarbonyl]oxy-2-methoxypropoxy]carbonylcyclohexyl]methylamino]-2-[[2-amino-3-[3-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxy-4-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-3,6-dioxohexoxy]-3-oxopropyl]-2-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl] 2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoate?
The InChIKey is AXVKRMYNUSMFGG-CPOVAEENSA-N. The full InChI is InChI=1S/C217H203N35O57S8/c1-295-158(127-300-204(265)135-40-32-129(33-41-135)121-227-202(263)98-92-179(253)137(123-296-214(275)175(218)105-131-37-95-190(303-207(268)168-114-151(61-85-182(168)256)238-232-142-50-74-162(75-51-142)313(285,286)248-197-27-11-16-100-222-197)193(109-131)306-210(271)171-117-154(64-88-185(171)259)241-230-140-46-70-160(71-47-140)311(281,282)246-148-23-7-3-8-24-148)124-297-215(276)176(219)106-132-38-96-191(304-208(269)169-115-152(62-86-183(169)257)239-233-143-52-76-163(77-53-143)314(287,288)249-198-28-12-17-101-223-198)194(110-132)307-211(272)172-118-155(65-89-186(172)260)242-231-141-48-72-161(73-49-141)312(283,284)247-149-25-9-4-10-26-149)128-301-205(266)136-42-34-130(35-43-136)122-228-203(264)99-93-180(254)138(125-298-216(277)177(220)107-133-36-94-189(302-206(267)167-113-150(60-84-181(167)255)237-229-139-44-68-159(69-45-139)310(279,280)245-147-21-5-2-6-22-147)195(111-133)308-212(273)173-119-156(66-90-187(173)261)243-235-145-56-80-165(81-57-145)316(291,292)251-200-30-14-19-103-225-200)126-299-217(278)178(221)108-134-39-97-192(305-209(270)170-116-153(63-87-184(170)258)240-234-144-54-78-164(79-55-144)315(289,290)250-199-29-13-18-102-224-199)196(112-134)309-213(274)174-120-157(67-91-188(174)262)244-236-146-58-82-166(83-59-146)317(293,294)252-201-31-15-20-104-226-201/h2-31,36-39,44-91,94-97,100-104,109-120,129-130,135-138,158,175-178,230-233,235-236,238-239,241-247,255-262H,32-35,40-43,92-93,98-99,105-108,121-128,218-221H2,1H3,(H,222,248)(H,223,249)(H,224,250)(H,225,251)(H,226,252)(H,227,263)(H,228,264)/b237-229+,240-234-.
What are the key properties of [4-[2-amino-3-[6-[[4-[3-[4-[[[5-[[2-amino-3-[4-[2-hydroxy-5-[[4-(phenylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-6-[2-amino-3-[4-[2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxy-4-oxohexanoyl]amino]methyl]cyclohexanecarbonyl]oxy-2-methoxypropoxy]carbonylcyclohexyl]methylamino]-2-[[2-amino-3-[3-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxy-4-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-3,6-dioxohexoxy]-3-oxopropyl]-2-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl] 2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoate?
[4-[2-amino-3-[6-[[4-[3-[4-[[[5-[[2-amino-3-[4-[2-hydroxy-5-[[4-(phenylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-6-[2-amino-3-[4-[2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxy-4-oxohexanoyl]amino]methyl]cyclohexanecarbonyl]oxy-2-methoxypropoxy]carbonylcyclohexyl]methylamino]-2-[[2-amino-3-[3-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxy-4-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-3,6-dioxohexoxy]-3-oxopropyl]-2-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl] 2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoate has a molecular weight of 4469.73 g/mol, XLogP of 28.56, 101 rotatable bonds, 34 hydrogen bond donors, and 82 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-3-[6-[[4-[3-[4-[[[5-[[2-amino-3-[4-[2-hydroxy-5-[[4-(phenylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-6-[2-amino-3-[4-[2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxy-4-oxohexanoyl]amino]methyl]cyclohexanecarbonyl]oxy-2-methoxypropoxy]carbonylcyclohexyl]methylamino]-2-[[2-amino-3-[3-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxy-4-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-3,6-dioxohexoxy]-3-oxopropyl]-2-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl] 2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoate is sourced from PubChem (CID 58942931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).