(4R,7S)-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R,6S)-1,8-dicarboxy-6-(carboxymethylcarbamoyl)-4-oxooctan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-4-[[(5R,6R)-6-[(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacont-14-yl]-6-hydroxy-5-methylhex-2-enoyl]amino]-5-oxodecanedioic acid;(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-6-oxoheptyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone

C166H276N20O46 — CID 161059565

About (4R,7S)-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R,6S)-1,8-dicarboxy-6-(carboxymethylcarbamoyl)-4-oxooctan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-4-[[(5R,6R)-6-[(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacont-14-yl]-6-hydroxy-5-methylhex-2-enoyl]amino]-5-oxodecanedioic acid;(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-6-oxoheptyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone

(4R,7S)-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R,6S)-1,8-dicarboxy-6-(carboxymethylcarbamoyl)-4-oxooctan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-4-[[(5R,6R)-6-[(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacont-14-yl]-6-hydroxy-5-methylhex-2-enoyl]amino]-5-oxodecanedioic acid;(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-6-oxoheptyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone (PubChem CID 161059565) has the molecular formula C166H276N20O46 and a molecular weight of 3288.13 g/mol. Its IUPAC name is (4R,7S)-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R,6S)-1,8-dicarboxy-6-(carboxymethylcarbamoyl)-4-oxooctan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-4-[[(5R,6R)-6-[(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacont-14-yl]-6-hydroxy-5-methylhex-2-enoyl]amino]-5-oxodecanedioic acid;(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-6-oxoheptyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone.

Molecular Properties

• Compound Name: (4R,7S)-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R,6S)-1,8-dicarboxy-6-(carboxymethylcarbamoyl)-4-oxooctan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-4-[[(5R,6R)-6-[(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacont-14-yl]-6-hydroxy-5-methylhex-2-enoyl]amino]-5-oxodecanedioic acid;(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-6-oxoheptyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone
• PubChem CID: 161059565
• Molecular Formula: C166H276N20O46
• Molecular Weight: 3288.13 g/mol
• Exact Mass: 3285.99
• IUPAC Name: (4R,7S)-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R,6S)-1,8-dicarboxy-6-(carboxymethylcarbamoyl)-4-oxooctan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-4-[[(5R,6R)-6-[(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacont-14-yl]-6-hydroxy-5-methylhex-2-enoyl]amino]-5-oxodecanedioic acid;(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-6-oxoheptyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone
• SMILES: CC[C@@H]1CC(=O)[C@H]([C@H](O)[C@H](C)CC=CC(=O)N[C@H](CCC(=O)O)C(=O)C[C@H](CCC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)CC(CCC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)CC(CCC(=O)O)C(=O)NCC(=O)O)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)CC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)CC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O.CC[C@@H]1CC(=O)[C@H]([C@H](O)[C@H](C)CCCC(C)=O)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)CC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)CC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O
• InChI: InChI=1S/C100H160N12O33.C66H116N8O13/c1-24-61-45-78(118)89(90(135)58(14)26-25-27-79(119)103-66(31-37-84(127)128)73(113)47-63(29-35-82(123)124)93(138)105-68(33-39-86(131)132)75(115)48-64(30-36-83(125)126)94(139)104-67(32-38-85(129)130)74(114)46-62(28-34-81(121)122)92(137)101-50-87(133)134)112(23)100(145)88(57(12)13)111(22)99(144)72(43-55(8)9)110(21)98(143)71(42-54(6)7)109(20)95(140)60(16)102-91(136)59(15)44-76(116)70(41-53(4)5)108(19)97(142)65(56(10)11)49-77(117)69(40-52(2)3)107(18)80(120)51-106(17)96(61)141;1-25-47-34-55(78)58(59(80)43(14)27-26-28-45(16)75)74(24)66(87)57(42(12)13)73(23)65(86)52(32-40(8)9)72(22)64(85)51(31-39(6)7)71(21)61(82)46(17)67-60(81)44(15)33-53(76)50(30-38(4)5)70(20)63(84)48(41(10)11)35-54(77)49(29-37(2)3)69(19)56(79)36-68(18)62(47)83/h25,27,52-72,88-90,135H,24,26,28-51H2,1-23H3,(H,101,137)(H,102,136)(H,103,119)(H,104,139)(H,105,138)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,133,134);37-44,46-52,57-59,80H,25-36H2,1-24H3,(H,67,81)/t58-,59-,60-,61-,62?,63+,64?,65+,66-,67-,68-,69+,70+,71+,72+,88+,89-,90-;43-,44-,46-,47-,48+,49+,50+,51+,52+,57+,58-,59-/m11/s1
• InChIKey: UDFIZIJDWNNFQI-DNCTWRJYSA-N
• XLogP: 10.43
• TPSA: 931.20 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 39
• Rotatable Bonds: 68
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3288.13
LogP ≤ 5	10.43
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of (4R,7S)-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R,6S)-1,8-dicarboxy-6-(carboxymethylcarbamoyl)-4-oxooctan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-4-[[(5R,6R)-6-[(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacont-14-yl]-6-hydroxy-5-methylhex-2-enoyl]amino]-5-oxodecanedioic acid;(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-6-oxoheptyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone?

The IUPAC name of (4R,7S)-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R,6S)-1,8-dicarboxy-6-(carboxymethylcarbamoyl)-4-oxooctan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-4-[[(5R,6R)-6-[(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacont-14-yl]-6-hydroxy-5-methylhex-2-enoyl]amino]-5-oxodecanedioic acid;(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-6-oxoheptyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone (CID 161059565) is (4R,7S)-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R,6S)-1,8-dicarboxy-6-(carboxymethylcarbamoyl)-4-oxooctan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-4-[[(5R,6R)-6-[(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacont-14-yl]-6-hydroxy-5-methylhex-2-enoyl]amino]-5-oxodecanedioic acid;(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-6-oxoheptyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone.

What is the SMILES notation for (4R,7S)-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R,6S)-1,8-dicarboxy-6-(carboxymethylcarbamoyl)-4-oxooctan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-4-[[(5R,6R)-6-[(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacont-14-yl]-6-hydroxy-5-methylhex-2-enoyl]amino]-5-oxodecanedioic acid;(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-6-oxoheptyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone?

The canonical SMILES for (4R,7S)-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R,6S)-1,8-dicarboxy-6-(carboxymethylcarbamoyl)-4-oxooctan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-4-[[(5R,6R)-6-[(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacont-14-yl]-6-hydroxy-5-methylhex-2-enoyl]amino]-5-oxodecanedioic acid;(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-6-oxoheptyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone is CC[C@@H]1CC(=O)[C@H]([C@H](O)[C@H](C)CC=CC(=O)N[C@H](CCC(=O)O)C(=O)C[C@H](CCC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)CC(CCC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)CC(CCC(=O)O)C(=O)NCC(=O)O)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)CC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)CC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O.CC[C@@H]1CC(=O)[C@H]([C@H](O)[C@H](C)CCCC(C)=O)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)CC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)CC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O.

What is the InChIKey of (4R,7S)-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R,6S)-1,8-dicarboxy-6-(carboxymethylcarbamoyl)-4-oxooctan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-4-[[(5R,6R)-6-[(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacont-14-yl]-6-hydroxy-5-methylhex-2-enoyl]amino]-5-oxodecanedioic acid;(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-6-oxoheptyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone?

The InChIKey is UDFIZIJDWNNFQI-DNCTWRJYSA-N. The full InChI is InChI=1S/C100H160N12O33.C66H116N8O13/c1-24-61-45-78(118)89(90(135)58(14)26-25-27-79(119)103-66(31-37-84(127)128)73(113)47-63(29-35-82(123)124)93(138)105-68(33-39-86(131)132)75(115)48-64(30-36-83(125)126)94(139)104-67(32-38-85(129)130)74(114)46-62(28-34-81(121)122)92(137)101-50-87(133)134)112(23)100(145)88(57(12)13)111(22)99(144)72(43-55(8)9)110(21)98(143)71(42-54(6)7)109(20)95(140)60(16)102-91(136)59(15)44-76(116)70(41-53(4)5)108(19)97(142)65(56(10)11)49-77(117)69(40-52(2)3)107(18)80(120)51-106(17)96(61)141;1-25-47-34-55(78)58(59(80)43(14)27-26-28-45(16)75)74(24)66(87)57(42(12)13)73(23)65(86)52(32-40(8)9)72(22)64(85)51(31-39(6)7)71(21)61(82)46(17)67-60(81)44(15)33-53(76)50(30-38(4)5)70(20)63(84)48(41(10)11)35-54(77)49(29-37(2)3)69(19)56(79)36-68(18)62(47)83/h25,27,52-72,88-90,135H,24,26,28-51H2,1-23H3,(H,101,137)(H,102,136)(H,103,119)(H,104,139)(H,105,138)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,133,134);37-44,46-52,57-59,80H,25-36H2,1-24H3,(H,67,81)/t58-,59-,60-,61-,62?,63+,64?,65+,66-,67-,68-,69+,70+,71+,72+,88+,89-,90-;43-,44-,46-,47-,48+,49+,50+,51+,52+,57+,58-,59-/m11/s1.

What are the key properties of (4R,7S)-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R,6S)-1,8-dicarboxy-6-(carboxymethylcarbamoyl)-4-oxooctan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-4-[[(5R,6R)-6-[(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacont-14-yl]-6-hydroxy-5-methylhex-2-enoyl]amino]-5-oxodecanedioic acid;(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-6-oxoheptyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone?

(4R,7S)-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R,6S)-1,8-dicarboxy-6-(carboxymethylcarbamoyl)-4-oxooctan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-4-[[(5R,6R)-6-[(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacont-14-yl]-6-hydroxy-5-methylhex-2-enoyl]amino]-5-oxodecanedioic acid;(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-6-oxoheptyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone has a molecular weight of 3288.13 g/mol, XLogP of 10.43, 68 rotatable bonds, 15 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,7S)-7-[[(3R,6S)-1,8-dicarboxy-6-[[(3R,6S)-1,8-dicarboxy-6-(carboxymethylcarbamoyl)-4-oxooctan-3-yl]carbamoyl]-4-oxooctan-3-yl]carbamoyl]-4-[[(5R,6R)-6-[(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacont-14-yl]-6-hydroxy-5-methylhex-2-enoyl]amino]-5-oxodecanedioic acid;(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-6-oxoheptyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone is sourced from PubChem (CID 161059565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).