2-[[4-carboxy-4-[4-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]butanoylamino]butanoyl]amino]-5-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid;(2S)-2-[[(4S)-4-carboxy-4-[12-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]dodecanoylamino]butanoyl]amino]-5-oxo-8-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]octanoic acid;bis(20-[[4-[[(1R)-1-carboxypropyl]carbamoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid);N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;2-[2-(4-oxohexoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide

C233H416N24O70S2 — CID 160725905

IUPAC2-[[4-carboxy-4-[4-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]butanoylamino]butanoyl]amino]-5-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid;(2S)-2-[[(4S)-4-carboxy-4-[12-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]dodecanoylamino]butanoyl]amino]-5-oxo-8-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]octanoic acid;bis(20-[[4-[[(1R)-1-carboxypropyl]carbamoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid);N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;2-[2-(4-oxohexoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
SMILESCC(=O)COCCOCCCC(=O)COCCOCCCC(=O)COCCOCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)COCCOCCCC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCNC(=O)CCCS(=O)(=O)CC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)O)C(=O)O.CC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)C(C)(C)C.CC(C)(C)C(=O)CCOCCOCCOCCNC(=O)CCC(NC(=O)CCC(NC(=O)CCCNC(=O)CCCS(=O)(=O)CC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)O)C(=O)O.CCC(=O)CCCOCCOCC(=O)NCCOCCOCC(C)=O.CC[C@@H](NC(=O)C1CCC(CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O.CC[C@@H](NC(=O)C1CCC(CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O
InChIInChI=1S/C84H148N10O29S.C49H86N8O15S.2C32H58N2O6.C19H35NO7.C17H31NO7/c1-69(95)62-118-55-49-113-44-25-30-71(97)63-119-56-50-114-45-26-31-72(98)64-120-57-52-115-46-40-86-81(104)66-122-59-54-117-48-42-88-82(105)67-123-60-53-116-47-41-87-80(103)65-121-58-51-112-43-24-29-70(96)35-36-74(83(106)107)90-79(102)38-37-75(84(108)109)89-78(101)33-22-18-14-10-7-11-15-19-23-39-85-77(100)34-27-61-124(110,111)68-73(99)28-20-16-12-8-5-3-2-4-6-9-13-17-21-32-76-91-93-94-92-76;1-49(2,3)41(59)27-30-70-32-34-72-35-33-71-31-29-51-44(61)25-23-39(47(64)65)53-46(63)26-24-40(48(66)67)52-45(62)21-17-28-50-43(60)22-18-36-73(68,69)37-38(58)19-15-13-11-9-7-5-4-6-8-10-12-14-16-20-42-54-56-57-55-42;2*1-2-28(32(39)40)34-31(38)27-23-21-26(22-24-27)25-33-29(35)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-30(36)37;1-16(21)20-7-9-25-11-12-26-14-17(22)6-5-8-24-10-13-27-15-18(23)19(2,3)4;1-3-16(20)5-4-7-22-9-12-25-14-17(21)18-6-8-23-10-11-24-13-15(2)19/h74-75H,2-68H2,1H3,(H,85,100)(H,86,104)(H,87,103)(H,88,105)(H,89,101)(H,90,102)(H,106,107)(H,108,109)(H,91,92,93,94);39-40H,4-37H2,1-3H3,(H,50,60)(H,51,61)(H,52,62)(H,53,63)(H,64,65)(H,66,67)(H,54,55,56,57);2*26-28H,2-25H2,1H3,(H,33,35)(H,34,38)(H,36,37)(H,39,40);5-15H2,1-4H3,(H,20,21);3-14H2,1-2H3,(H,18,21)/t74-,75-;;2*26?,27?,28-;;/m0.11../s1
InChIKeyRTRYGFSMFVYWOS-WEXDNKCQSA-N
MW4738.12 g/mol
LogP24.26
Rot. Bonds228

About 2-[[4-carboxy-4-[4-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]butanoylamino]butanoyl]amino]-5-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid;(2S)-2-[[(4S)-4-carboxy-4-[12-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]dodecanoylamino]butanoyl]amino]-5-oxo-8-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]octanoic acid;bis(20-[[4-[[(1R)-1-carboxypropyl]carbamoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid);N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;2-[2-(4-oxohexoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide

2-[[4-carboxy-4-[4-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]butanoylamino]butanoyl]amino]-5-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid;(2S)-2-[[(4S)-4-carboxy-4-[12-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]dodecanoylamino]butanoyl]amino]-5-oxo-8-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]octanoic acid;bis(20-[[4-[[(1R)-1-carboxypropyl]carbamoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid);N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;2-[2-(4-oxohexoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide (PubChem CID 160725905) has the molecular formula C233H416N24O70S2 and a molecular weight of 4738.12 g/mol. Its IUPAC name is 2-[[4-carboxy-4-[4-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]butanoylamino]butanoyl]amino]-5-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid;(2S)-2-[[(4S)-4-carboxy-4-[12-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]dodecanoylamino]butanoyl]amino]-5-oxo-8-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]octanoic acid;bis(20-[[4-[[(1R)-1-carboxypropyl]carbamoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid);N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;2-[2-(4-oxohexoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-[[4-carboxy-4-[4-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]butanoylamino]butanoyl]amino]-5-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid;(2S)-2-[[(4S)-4-carboxy-4-[12-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]dodecanoylamino]butanoyl]amino]-5-oxo-8-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]octanoic acid;bis(20-[[4-[[(1R)-1-carboxypropyl]carbamoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid);N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;2-[2-(4-oxohexoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
PubChem CID160725905
Molecular FormulaC233H416N24O70S2
Molecular Weight4738.12 g/mol
Exact Mass4734.92
IUPAC Name2-[[4-carboxy-4-[4-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]butanoylamino]butanoyl]amino]-5-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid;(2S)-2-[[(4S)-4-carboxy-4-[12-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]dodecanoylamino]butanoyl]amino]-5-oxo-8-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]octanoic acid;bis(20-[[4-[[(1R)-1-carboxypropyl]carbamoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid);N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;2-[2-(4-oxohexoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
SMILESCC(=O)COCCOCCCC(=O)COCCOCCCC(=O)COCCOCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)COCCOCCCC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCNC(=O)CCCS(=O)(=O)CC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)O)C(=O)O.CC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)C(C)(C)C.CC(C)(C)C(=O)CCOCCOCCOCCNC(=O)CCC(NC(=O)CCC(NC(=O)CCCNC(=O)CCCS(=O)(=O)CC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)O)C(=O)O.CCC(=O)CCCOCCOCC(=O)NCCOCCOCC(C)=O.CC[C@@H](NC(=O)C1CCC(CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O.CC[C@@H](NC(=O)C1CCC(CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O
InChIInChI=1S/C84H148N10O29S.C49H86N8O15S.2C32H58N2O6.C19H35NO7.C17H31NO7/c1-69(95)62-118-55-49-113-44-25-30-71(97)63-119-56-50-114-45-26-31-72(98)64-120-57-52-115-46-40-86-81(104)66-122-59-54-117-48-42-88-82(105)67-123-60-53-116-47-41-87-80(103)65-121-58-51-112-43-24-29-70(96)35-36-74(83(106)107)90-79(102)38-37-75(84(108)109)89-78(101)33-22-18-14-10-7-11-15-19-23-39-85-77(100)34-27-61-124(110,111)68-73(99)28-20-16-12-8-5-3-2-4-6-9-13-17-21-32-76-91-93-94-92-76;1-49(2,3)41(59)27-30-70-32-34-72-35-33-71-31-29-51-44(61)25-23-39(47(64)65)53-46(63)26-24-40(48(66)67)52-45(62)21-17-28-50-43(60)22-18-36-73(68,69)37-38(58)19-15-13-11-9-7-5-4-6-8-10-12-14-16-20-42-54-56-57-55-42;2*1-2-28(32(39)40)34-31(38)27-23-21-26(22-24-27)25-33-29(35)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-30(36)37;1-16(21)20-7-9-25-11-12-26-14-17(22)6-5-8-24-10-13-27-15-18(23)19(2,3)4;1-3-16(20)5-4-7-22-9-12-25-14-17(21)18-6-8-23-10-11-24-13-15(2)19/h74-75H,2-68H2,1H3,(H,85,100)(H,86,104)(H,87,103)(H,88,105)(H,89,101)(H,90,102)(H,106,107)(H,108,109)(H,91,92,93,94);39-40H,4-37H2,1-3H3,(H,50,60)(H,51,61)(H,52,62)(H,53,63)(H,64,65)(H,66,67)(H,54,55,56,57);2*26-28H,2-25H2,1H3,(H,33,35)(H,34,38)(H,36,37)(H,39,40);5-15H2,1-4H3,(H,20,21);3-14H2,1-2H3,(H,18,21)/t74-,75-;;2*26?,27?,28-;;/m0.11../s1
InChIKeyRTRYGFSMFVYWOS-WEXDNKCQSA-N
XLogP24.26
TPSA1341.26 Ų
H-Bond Donors26
H-Bond Acceptors68
Rotatable Bonds228
Heavy Atoms329
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004738.12
LogP ≤ 524.26
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1068

Analyze 2-[[4-carboxy-4-[4-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]butanoylamino]butanoyl]amino]-5-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid;(2S)-2-[[(4S)-4-carboxy-4-[12-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]dodecanoylamino]butanoyl]amino]-5-oxo-8-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]octanoic acid;bis(20-[[4-[[(1R)-1-carboxypropyl]carbamoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid);N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;2-[2-(4-oxohexoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-carboxy-4-[4-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]butanoylamino]butanoyl]amino]-5-oxo-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 58214531
20-[[4-[(3R)-3-carboxy-6-[[(3S)-1-carboxy-4-oxo-7-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]heptan-3-yl]amino]-6-oxohexanoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid;20-[4-(1-carboxyethylcarbamoyl)piperidin-1-yl]-20-oxoicosanoic acid;18-[4-[(3S)-3-carboxy-5-oxononanoyl]piperidin-1-yl]-18-oxooctadecanoic acid;2-[[4-carboxy-4-[4-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]butanoylamino]butanoyl]amino]-5-oxo-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoic acid;2-(2-methoxyethoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide;2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
CID 157174236
(2S)-2-[[(4S)-4-carboxy-4-[6-[4-[16-(2H-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]hexanoylamino]butanoyl]amino]-5-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethylamino]-5-oxopentanoic acid
CID 59616538
(2S)-2-[[(4S)-4-carboxy-4-[4-[4-[16-(2H-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]butanoylamino]butanoyl]amino]-5-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethylamino]-5-oxopentanoic acid
CID 59616483
(2R)-2-[3-[[(1S)-1-carboxy-4-[[(5S)-5-methyl-6-oxoheptyl]amino]-4-oxobutyl]amino]-3-oxopropyl]-5-[2-[2-[[2-[2-[(7S)-7-carboxy-4-oxo-7-[4-[15-(2H-tetrazol-5-yl)pentadecylsulfonyl]butanoylamino]heptoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]-4-oxopentanoic acid;molecular hydrogen
CID 157299194
5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]-2-[16-(2H-tetrazol-5-yl)hexadecanoylamino]pentanoic acid
CID 70823050
N-butylpropanamide;18-[[5-carboxy-8-(1-carboxypropylamino)-3,8-dioxo-1-sulfooctan-2-yl]amino]-18-oxooctadecanoic acid;2-[3-(1-carboxypropylamino)-3-oxopropyl]-4-oxo-5-[2-[2-[4-[16-(2H-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]pentanoic acid;2-[[2-[2-(4-oxohexoxy)ethoxy]acetyl]amino]-6-(propanoylamino)hexanoic acid
CID 157367603
2-[3-(1-carboxypropylamino)-3-oxopropyl]-4-oxo-5-[2-[2-[4-[4-(2H-tetrazol-5-yl)butanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]pentanoic acid;2-[[2-[2-(4-oxohexoxy)ethoxy]acetyl]amino]-6-(propanoylamino)hexanoic acid
CID 160571166
(2R)-2-[3-[[7-[2-[2-[[(1S)-5-[(2-bromoacetyl)amino]-1-carboxypentyl]amino]-2-oxoethoxy]ethoxy]-1-carboxy-4-oxoheptyl]amino]-3-oxopropyl]-4-oxo-5-[2-[2-[4-[16-(2H-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]pentanoic acid
CID 162151374
2-[3-[[7-[2-[2-[[5-[(2-bromoacetyl)amino]-1-carboxypentyl]amino]-2-oxoethoxy]ethoxy]-1-carboxy-4-oxoheptyl]amino]-3-oxopropyl]-4-oxo-5-[2-[2-[4-[16-(2H-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]pentanoic acid
CID 162151376
bis(2-[[2-(2-butoxyethoxy)acetyl]amino]-6-(propanoylamino)hexanoic acid);18-[[5-carboxy-8-(1-carboxyethylamino)-3,8-dioxo-1-sulfooctan-2-yl]amino]-18-oxooctadecanoic acid;bis(2-[3-[(1-carboxy-4-oxopentyl)amino]-3-oxopropyl]-4-oxo-5-[2-[2-[4-[16-(2H-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]pentanoic acid);2-ethyl-8-oxononanoic acid;4-oxo-2-(6-oxooctyl)nonadecanedioic acid;4-oxo-2-[3-oxo-3-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]propyl]nonadecanedioic acid;N-pentylpropanamide
CID 162078872
18-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-(3,3-dimethyl-2-oxobutoxy)pentylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 174335918

Frequently Asked Questions

What is the IUPAC name of 2-[[4-carboxy-4-[4-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]butanoylamino]butanoyl]amino]-5-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid;(2S)-2-[[(4S)-4-carboxy-4-[12-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]dodecanoylamino]butanoyl]amino]-5-oxo-8-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]octanoic acid;bis(20-[[4-[[(1R)-1-carboxypropyl]carbamoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid);N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;2-[2-(4-oxohexoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide?
The IUPAC name of 2-[[4-carboxy-4-[4-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]butanoylamino]butanoyl]amino]-5-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid;(2S)-2-[[(4S)-4-carboxy-4-[12-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]dodecanoylamino]butanoyl]amino]-5-oxo-8-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]octanoic acid;bis(20-[[4-[[(1R)-1-carboxypropyl]carbamoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid);N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;2-[2-(4-oxohexoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide (CID 160725905) is 2-[[4-carboxy-4-[4-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]butanoylamino]butanoyl]amino]-5-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid;(2S)-2-[[(4S)-4-carboxy-4-[12-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]dodecanoylamino]butanoyl]amino]-5-oxo-8-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]octanoic acid;bis(20-[[4-[[(1R)-1-carboxypropyl]carbamoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid);N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;2-[2-(4-oxohexoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-[[4-carboxy-4-[4-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]butanoylamino]butanoyl]amino]-5-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid;(2S)-2-[[(4S)-4-carboxy-4-[12-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]dodecanoylamino]butanoyl]amino]-5-oxo-8-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]octanoic acid;bis(20-[[4-[[(1R)-1-carboxypropyl]carbamoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid);N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;2-[2-(4-oxohexoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide?
The canonical SMILES for 2-[[4-carboxy-4-[4-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]butanoylamino]butanoyl]amino]-5-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid;(2S)-2-[[(4S)-4-carboxy-4-[12-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]dodecanoylamino]butanoyl]amino]-5-oxo-8-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]octanoic acid;bis(20-[[4-[[(1R)-1-carboxypropyl]carbamoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid);N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;2-[2-(4-oxohexoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide is CC(=O)COCCOCCCC(=O)COCCOCCCC(=O)COCCOCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)COCCOCCCC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCNC(=O)CCCS(=O)(=O)CC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)O)C(=O)O.CC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)C(C)(C)C.CC(C)(C)C(=O)CCOCCOCCOCCNC(=O)CCC(NC(=O)CCC(NC(=O)CCCNC(=O)CCCS(=O)(=O)CC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1)C(=O)O)C(=O)O.CCC(=O)CCCOCCOCC(=O)NCCOCCOCC(C)=O.CC[C@@H](NC(=O)C1CCC(CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O.CC[C@@H](NC(=O)C1CCC(CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O.
What is the InChIKey of 2-[[4-carboxy-4-[4-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]butanoylamino]butanoyl]amino]-5-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid;(2S)-2-[[(4S)-4-carboxy-4-[12-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]dodecanoylamino]butanoyl]amino]-5-oxo-8-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]octanoic acid;bis(20-[[4-[[(1R)-1-carboxypropyl]carbamoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid);N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;2-[2-(4-oxohexoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide?
The InChIKey is RTRYGFSMFVYWOS-WEXDNKCQSA-N. The full InChI is InChI=1S/C84H148N10O29S.C49H86N8O15S.2C32H58N2O6.C19H35NO7.C17H31NO7/c1-69(95)62-118-55-49-113-44-25-30-71(97)63-119-56-50-114-45-26-31-72(98)64-120-57-52-115-46-40-86-81(104)66-122-59-54-117-48-42-88-82(105)67-123-60-53-116-47-41-87-80(103)65-121-58-51-112-43-24-29-70(96)35-36-74(83(106)107)90-79(102)38-37-75(84(108)109)89-78(101)33-22-18-14-10-7-11-15-19-23-39-85-77(100)34-27-61-124(110,111)68-73(99)28-20-16-12-8-5-3-2-4-6-9-13-17-21-32-76-91-93-94-92-76;1-49(2,3)41(59)27-30-70-32-34-72-35-33-71-31-29-51-44(61)25-23-39(47(64)65)53-46(63)26-24-40(48(66)67)52-45(62)21-17-28-50-43(60)22-18-36-73(68,69)37-38(58)19-15-13-11-9-7-5-4-6-8-10-12-14-16-20-42-54-56-57-55-42;2*1-2-28(32(39)40)34-31(38)27-23-21-26(22-24-27)25-33-29(35)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-30(36)37;1-16(21)20-7-9-25-11-12-26-14-17(22)6-5-8-24-10-13-27-15-18(23)19(2,3)4;1-3-16(20)5-4-7-22-9-12-25-14-17(21)18-6-8-23-10-11-24-13-15(2)19/h74-75H,2-68H2,1H3,(H,85,100)(H,86,104)(H,87,103)(H,88,105)(H,89,101)(H,90,102)(H,106,107)(H,108,109)(H,91,92,93,94);39-40H,4-37H2,1-3H3,(H,50,60)(H,51,61)(H,52,62)(H,53,63)(H,64,65)(H,66,67)(H,54,55,56,57);2*26-28H,2-25H2,1H3,(H,33,35)(H,34,38)(H,36,37)(H,39,40);5-15H2,1-4H3,(H,20,21);3-14H2,1-2H3,(H,18,21)/t74-,75-;;2*26?,27?,28-;;/m0.11../s1.
What are the key properties of 2-[[4-carboxy-4-[4-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]butanoylamino]butanoyl]amino]-5-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid;(2S)-2-[[(4S)-4-carboxy-4-[12-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]dodecanoylamino]butanoyl]amino]-5-oxo-8-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]octanoic acid;bis(20-[[4-[[(1R)-1-carboxypropyl]carbamoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid);N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;2-[2-(4-oxohexoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide?
2-[[4-carboxy-4-[4-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]butanoylamino]butanoyl]amino]-5-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid;(2S)-2-[[(4S)-4-carboxy-4-[12-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]dodecanoylamino]butanoyl]amino]-5-oxo-8-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]octanoic acid;bis(20-[[4-[[(1R)-1-carboxypropyl]carbamoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid);N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;2-[2-(4-oxohexoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide has a molecular weight of 4738.12 g/mol, XLogP of 24.26, 228 rotatable bonds, 26 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-carboxy-4-[4-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]butanoylamino]butanoyl]amino]-5-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid;(2S)-2-[[(4S)-4-carboxy-4-[12-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]dodecanoylamino]butanoyl]amino]-5-oxo-8-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]octanoic acid;bis(20-[[4-[[(1R)-1-carboxypropyl]carbamoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid);N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;2-[2-(4-oxohexoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide is sourced from PubChem (CID 160725905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).