(2S)-1-[1-[(2S)-1-[1-[(2S)-1-[1-[2-[(2R,3R)-3-[(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]-3-hydroxy-2-methylpropyl]-3H-benzimidazole-5-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

C100H156N16O20 — CID 157323444

IUPAC(2S)-1-[1-[(2S)-1-[1-[(2S)-1-[1-[2-[(2R,3R)-3-[(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]-3-hydroxy-2-methylpropyl]-3H-benzimidazole-5-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCC[C@@H]1CC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3ccc(C(=O)N4CCCC4C(=O)N4CCC[C@H]4C(=O)N4CCCC4C(=O)N4CCC[C@H]4C(=O)N4CCCC4C(=O)N4CCC[C@H]4C(=O)O)cc3[nH]2)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
InChIInChI=1S/C100H156N16O20/c1-24-64-52-81(119)85(86(121)61(14)50-82-102-67-38-37-65(51-68(67)103-82)90(125)111-39-25-31-69(111)94(129)112-40-26-32-70(112)95(130)113-41-27-33-71(113)96(131)114-42-28-34-72(114)97(132)115-43-29-35-73(115)98(133)116-44-30-36-74(116)100(135)136)110(23)99(134)84(60(12)13)109(22)93(128)78(48-58(8)9)108(21)92(127)77(47-57(6)7)107(20)88(123)63(16)101-87(122)62(15)49-79(117)76(46-56(4)5)106(19)91(126)66(59(10)11)53-80(118)75(45-55(2)3)105(18)83(120)54-104(17)89(64)124/h37-38,51,55-64,66,69-78,84-86,121H,24-36,39-50,52-54H2,1-23H3,(H,101,122)(H,102,103)(H,135,136)/t61-,62-,63-,64-,66+,69?,70+,71?,72+,73?,74+,75+,76+,77+,78+,84+,85-,86-/m1/s1
InChIKeyVYVPHUKDKJEDTK-SOQDLTKQSA-N
MW1902.44 g/mol
LogP6.34
Rot. Bonds22

About (2S)-1-[1-[(2S)-1-[1-[(2S)-1-[1-[2-[(2R,3R)-3-[(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]-3-hydroxy-2-methylpropyl]-3H-benzimidazole-5-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

(2S)-1-[1-[(2S)-1-[1-[(2S)-1-[1-[2-[(2R,3R)-3-[(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]-3-hydroxy-2-methylpropyl]-3H-benzimidazole-5-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 157323444) has the molecular formula C100H156N16O20 and a molecular weight of 1902.44 g/mol. Its IUPAC name is (2S)-1-[1-[(2S)-1-[1-[(2S)-1-[1-[2-[(2R,3R)-3-[(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]-3-hydroxy-2-methylpropyl]-3H-benzimidazole-5-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[1-[(2S)-1-[1-[(2S)-1-[1-[2-[(2R,3R)-3-[(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]-3-hydroxy-2-methylpropyl]-3H-benzimidazole-5-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID157323444
Molecular FormulaC100H156N16O20
Molecular Weight1902.44 g/mol
Exact Mass1901.17
IUPAC Name(2S)-1-[1-[(2S)-1-[1-[(2S)-1-[1-[2-[(2R,3R)-3-[(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]-3-hydroxy-2-methylpropyl]-3H-benzimidazole-5-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCC[C@@H]1CC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3ccc(C(=O)N4CCCC4C(=O)N4CCC[C@H]4C(=O)N4CCCC4C(=O)N4CCC[C@H]4C(=O)N4CCCC4C(=O)N4CCC[C@H]4C(=O)O)cc3[nH]2)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
InChIInChI=1S/C100H156N16O20/c1-24-64-52-81(119)85(86(121)61(14)50-82-102-67-38-37-65(51-68(67)103-82)90(125)111-39-25-31-69(111)94(129)112-40-26-32-70(112)95(130)113-41-27-33-71(113)96(131)114-42-28-34-72(114)97(132)115-43-29-35-73(115)98(133)116-44-30-36-74(116)100(135)136)110(23)99(134)84(60(12)13)109(22)93(128)78(48-58(8)9)108(21)92(127)77(47-57(6)7)107(20)88(123)63(16)101-87(122)62(15)49-79(117)76(46-56(4)5)106(19)91(126)66(59(10)11)53-80(118)75(45-55(2)3)105(18)83(120)54-104(17)89(64)124/h37-38,51,55-64,66,69-78,84-86,121H,24-36,39-50,52-54H2,1-23H3,(H,101,122)(H,102,103)(H,135,136)/t61-,62-,63-,64-,66+,69?,70+,71?,72+,73?,74+,75+,76+,77+,78+,84+,85-,86-/m1/s1
InChIKeyVYVPHUKDKJEDTK-SOQDLTKQSA-N
XLogP6.34
TPSA430.55 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001902.44
LogP ≤ 56.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze (2S)-1-[1-[(2S)-1-[1-[(2S)-1-[1-[2-[(2R,3R)-3-[(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]-3-hydroxy-2-methylpropyl]-3H-benzimidazole-5-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

2-[(2R,3R)-3-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-3-hydroxy-2-methylpropyl]-3H-benzimidazole-5-carboxylic acid
CID 73333515
methyl 2-[(2R,3R)-3-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-3-hydroxy-2-methylpropyl]-3H-benzimidazole-5-carboxylate
CID 73333729
methyl (3S)-3-[(2S,4S)-2-[6-[1-(4-fluorophenyl)-5-[2-[(2S,4S)-4-hydroxy-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]-4-hydroxypyrrolidine-1-carbonyl]-4-methylpentanoate
CID 59616789
methyl (3S)-3-[(2S,4S)-2-[6-[1-(4-fluorophenyl)-5-[2-[(2S,4S)-4-hydroxy-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-3H-indol-2-yl]-4-hydroxypyrrolidine-1-carbonyl]-4-methylpentanoate
CID 160254110
2-[(2R,3R)-3-[(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]-3-hydroxy-2-methylpropyl]-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 161822675
30-ethyl-33-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate
CID 117592929
(4S)-4-[[(2R,5S)-5-acetamido-6-(1H-imidazol-5-yl)-2-(1H-imidazol-5-ylmethyl)-4-oxohexanoyl]amino]-5-[(2S)-2-[[(4R)-5-[[(2S,5R)-5-[(2S)-2-[(3R)-3-[[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]-5-methylhexanoyl]pyrrolidine-1-carbonyl]-1-(1H-indol-3-yl)-7-methyl-3-oxooctan-2-yl]amino]-4-methyl-2,5-dioxopentyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
CID 59615600
[(2S)-2-[6-[2-[(2S)-1-[(2R,4S)-4-hydroxypyrrolidine-2-carbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 68301189
[(2S)-2-[6-[2-[(2S)-1-[(2R,4R)-4-hydroxypyrrolidine-2-carbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone
CID 68301260
methyl N-[(2R)-1-[2-[6-[6-[2-[1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazole-5-carbonyl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindole-2-carbonyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 88981087
methyl N-[1-[2-[6-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazole-5-carbonyl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindole-2-carbonyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 88981110
methyl N-[(2S)-1-[(2S,4S)-4-hydroxy-2-[6-[(2R,5R)-5-[2-[(2S,4S)-4-hydroxy-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1-(4-prop-1-en-2-ylphenyl)pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 89007184

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-[(2S)-1-[1-[(2S)-1-[1-[2-[(2R,3R)-3-[(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]-3-hydroxy-2-methylpropyl]-3H-benzimidazole-5-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[1-[(2S)-1-[1-[(2S)-1-[1-[2-[(2R,3R)-3-[(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]-3-hydroxy-2-methylpropyl]-3H-benzimidazole-5-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid (CID 157323444) is (2S)-1-[1-[(2S)-1-[1-[(2S)-1-[1-[2-[(2R,3R)-3-[(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]-3-hydroxy-2-methylpropyl]-3H-benzimidazole-5-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[1-[(2S)-1-[1-[(2S)-1-[1-[2-[(2R,3R)-3-[(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]-3-hydroxy-2-methylpropyl]-3H-benzimidazole-5-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[1-[(2S)-1-[1-[(2S)-1-[1-[2-[(2R,3R)-3-[(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]-3-hydroxy-2-methylpropyl]-3H-benzimidazole-5-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid is CC[C@@H]1CC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3ccc(C(=O)N4CCCC4C(=O)N4CCC[C@H]4C(=O)N4CCCC4C(=O)N4CCC[C@H]4C(=O)N4CCCC4C(=O)N4CCC[C@H]4C(=O)O)cc3[nH]2)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 (2S)-1-[1-[(2S)-1-[1-[(2S)-1-[1-[2-[(2R,3R)-3-[(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]-3-hydroxy-2-methylpropyl]-3H-benzimidazole-5-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VYVPHUKDKJEDTK-SOQDLTKQSA-N. The full InChI is InChI=1S/C100H156N16O20/c1-24-64-52-81(119)85(86(121)61(14)50-82-102-67-38-37-65(51-68(67)103-82)90(125)111-39-25-31-69(111)94(129)112-40-26-32-70(112)95(130)113-41-27-33-71(113)96(131)114-42-28-34-72(114)97(132)115-43-29-35-73(115)98(133)116-44-30-36-74(116)100(135)136)110(23)99(134)84(60(12)13)109(22)93(128)78(48-58(8)9)108(21)92(127)77(47-57(6)7)107(20)88(123)63(16)101-87(122)62(15)49-79(117)76(46-56(4)5)106(19)91(126)66(59(10)11)53-80(118)75(45-55(2)3)105(18)83(120)54-104(17)89(64)124/h37-38,51,55-64,66,69-78,84-86,121H,24-36,39-50,52-54H2,1-23H3,(H,101,122)(H,102,103)(H,135,136)/t61-,62-,63-,64-,66+,69?,70+,71?,72+,73?,74+,75+,76+,77+,78+,84+,85-,86-/m1/s1.
What are the key properties of (2S)-1-[1-[(2S)-1-[1-[(2S)-1-[1-[2-[(2R,3R)-3-[(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]-3-hydroxy-2-methylpropyl]-3H-benzimidazole-5-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[1-[(2S)-1-[1-[(2S)-1-[1-[2-[(2R,3R)-3-[(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]-3-hydroxy-2-methylpropyl]-3H-benzimidazole-5-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 1902.44 g/mol, XLogP of 6.34, 22 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-[(2S)-1-[1-[(2S)-1-[1-[2-[(2R,3R)-3-[(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]-3-hydroxy-2-methylpropyl]-3H-benzimidazole-5-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 157323444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).