(2R)-5-[(8R,11R,15S,18S)-8-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-11-(1H-indol-3-ylmethyl)-8,18-dimethyl-15-(2-methylpropyl)-9,12,16-trioxo-1,17,23,24-tetrazabicyclo[20.2.1]pentacosa-22(25),23-dien-18-yl]-N-(1-amino-1-oxopropan-2-yl)-5-oxo-2-propylpentanamide

C68H101N11O11 — CID 161482548

IUPAC(2R)-5-[(8R,11R,15S,18S)-8-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-11-(1H-indol-3-ylmethyl)-8,18-dimethyl-15-(2-methylpropyl)-9,12,16-trioxo-1,17,23,24-tetrazabicyclo[20.2.1]pentacosa-22(25),23-dien-18-yl]-N-(1-amino-1-oxopropan-2-yl)-5-oxo-2-propylpentanamide
SMILESCCC[C@H](CCC(=O)[C@]1(C)CCCc2cn(nn2)CCCCCC[C@@](C)(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)C[C@@H](Cc2c[nH]c3ccccc23)C(=O)CC[C@@H](CC(C)C)C(=O)N1)C(=O)NC(C)C(N)=O
InChIInChI=1S/C68H101N11O11/c1-11-22-48(62(86)71-44(6)61(69)85)29-31-58(83)67(9)33-21-25-52-41-79(78-77-52)34-20-13-12-19-32-68(10,59(84)39-50(38-51-40-70-54-27-18-17-26-53(51)54)57(82)30-28-49(35-42(2)3)63(87)75-67)76-65(89)56(37-47-23-15-14-16-24-47)73-66(90)60(45(7)80)74-64(88)55(36-43(4)5)72-46(8)81/h14-18,23-24,26-27,40-45,48-50,55-56,60,70,80H,11-13,19-22,25,28-39H2,1-10H3,(H2,69,85)(H,71,86)(H,72,81)(H,73,90)(H,74,88)(H,75,87)(H,76,89)/t44?,45-,48-,49+,50-,55+,56+,60+,67+,68-/m1/s1
InChIKeyWEODPROSQYACSC-KEKSZCTOSA-N
MW1248.62 g/mol
LogP6.53
Rot. Bonds25

About (2R)-5-[(8R,11R,15S,18S)-8-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-11-(1H-indol-3-ylmethyl)-8,18-dimethyl-15-(2-methylpropyl)-9,12,16-trioxo-1,17,23,24-tetrazabicyclo[20.2.1]pentacosa-22(25),23-dien-18-yl]-N-(1-amino-1-oxopropan-2-yl)-5-oxo-2-propylpentanamide

(2R)-5-[(8R,11R,15S,18S)-8-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-11-(1H-indol-3-ylmethyl)-8,18-dimethyl-15-(2-methylpropyl)-9,12,16-trioxo-1,17,23,24-tetrazabicyclo[20.2.1]pentacosa-22(25),23-dien-18-yl]-N-(1-amino-1-oxopropan-2-yl)-5-oxo-2-propylpentanamide (PubChem CID 161482548) has the molecular formula C68H101N11O11 and a molecular weight of 1248.62 g/mol. Its IUPAC name is (2R)-5-[(8R,11R,15S,18S)-8-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-11-(1H-indol-3-ylmethyl)-8,18-dimethyl-15-(2-methylpropyl)-9,12,16-trioxo-1,17,23,24-tetrazabicyclo[20.2.1]pentacosa-22(25),23-dien-18-yl]-N-(1-amino-1-oxopropan-2-yl)-5-oxo-2-propylpentanamide.

Molecular Properties

Compound Name(2R)-5-[(8R,11R,15S,18S)-8-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-11-(1H-indol-3-ylmethyl)-8,18-dimethyl-15-(2-methylpropyl)-9,12,16-trioxo-1,17,23,24-tetrazabicyclo[20.2.1]pentacosa-22(25),23-dien-18-yl]-N-(1-amino-1-oxopropan-2-yl)-5-oxo-2-propylpentanamide
PubChem CID161482548
Molecular FormulaC68H101N11O11
Molecular Weight1248.62 g/mol
Exact Mass1247.77
IUPAC Name(2R)-5-[(8R,11R,15S,18S)-8-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-11-(1H-indol-3-ylmethyl)-8,18-dimethyl-15-(2-methylpropyl)-9,12,16-trioxo-1,17,23,24-tetrazabicyclo[20.2.1]pentacosa-22(25),23-dien-18-yl]-N-(1-amino-1-oxopropan-2-yl)-5-oxo-2-propylpentanamide
SMILESCCC[C@H](CCC(=O)[C@]1(C)CCCc2cn(nn2)CCCCCC[C@@](C)(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)C[C@@H](Cc2c[nH]c3ccccc23)C(=O)CC[C@@H](CC(C)C)C(=O)N1)C(=O)NC(C)C(N)=O
InChIInChI=1S/C68H101N11O11/c1-11-22-48(62(86)71-44(6)61(69)85)29-31-58(83)67(9)33-21-25-52-41-79(78-77-52)34-20-13-12-19-32-68(10,59(84)39-50(38-51-40-70-54-27-18-17-26-53(51)54)57(82)30-28-49(35-42(2)3)63(87)75-67)76-65(89)56(37-47-23-15-14-16-24-47)73-66(90)60(45(7)80)74-64(88)55(36-43(4)5)72-46(8)81/h14-18,23-24,26-27,40-45,48-50,55-56,60,70,80H,11-13,19-22,25,28-39H2,1-10H3,(H2,69,85)(H,71,86)(H,72,81)(H,73,90)(H,74,88)(H,75,87)(H,76,89)/t44?,45-,48-,49+,50-,55+,56+,60+,67+,68-/m1/s1
InChIKeyWEODPROSQYACSC-KEKSZCTOSA-N
XLogP6.53
TPSA335.63 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001248.62
LogP ≤ 56.53
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Analyze (2R)-5-[(8R,11R,15S,18S)-8-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-11-(1H-indol-3-ylmethyl)-8,18-dimethyl-15-(2-methylpropyl)-9,12,16-trioxo-1,17,23,24-tetrazabicyclo[20.2.1]pentacosa-22(25),23-dien-18-yl]-N-(1-amino-1-oxopropan-2-yl)-5-oxo-2-propylpentanamide with MolForge

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Related Compounds

(8R,11R,15S,18S)-8-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-N-[1-[[(2S)-1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-15-(cyclobutylmethyl)-11-(1H-indol-3-ylmethyl)-8,18-dimethyl-9,12,16-trioxo-1,17,23,24-tetrazabicyclo[20.2.1]pentacosa-22(25),23-diene-18-carboxamide
CID 158444182
(3R,6S,12R,15S,22E,27S)-15-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-[[1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-6-(3-amino-3-oxopropyl)-12-(1H-indol-3-ylmethyl)-9,15,27-trimethyl-3-(2-methylpropyl)-2,7,8,11,14-pentaoxo-1,5,10-triazacycloheptacos-22-ene-27-carboxamide
CID 159241695
(8R,14S,17S,23S,26R,29S)-8-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-N-[1-[[(2S)-1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-23-(3-amino-3-oxopropyl)-17-[(6-chloro-1H-indol-3-yl)methyl]-14-[(4-hydroxyphenyl)methyl]-8,11,20,29-tetramethyl-26-(2-methylpropyl)-9,12,15,18,21,22,27-heptaoxo-1,10,13,16,19,24,28,34,35-nonazabicyclo[31.2.1]hexatriaconta-33(36),34-diene-29-carboxamide
CID 158396259
3-[(2S,11S,14S,20S,24E,32R)-32-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-20-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]-14-(3-amino-3-oxopropyl)-17-(cyclobutylmethyl)-5-[(4-hydroxyphenyl)methyl]-8-(1H-indol-3-ylmethyl)-11,20,32-trimethyl-3,6,9,12,15,18,33-heptaoxo-1,4,7,10,13,16,19-heptazacyclotritriacont-24-en-2-yl]propanoic acid
CID 171360845
4-[[(2S,5S,8R,11S,14S,17R,20S,32R)-32-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-20-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,5S)-5-[[(2S)-3-amino-2-methyl-3-oxopropyl]amino]-3,4-dioxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-14-(3-amino-3-oxopropyl)-2-(2-carboxyethyl)-17-(cyclobutylmethyl)-8-(1H-indol-3-ylmethyl)-11,20,32-trimethyl-3,6,9,12,15,18,33-heptaoxo-1,4,10,13,19-pentazacyclotritriacont-24-en-5-yl]methyl]benzoic acid
CID 160736443
3-[(2S,8S,14S,17R,20S,24E,32S)-32-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-20-[[1-[[(2S)-1-[[1-[[(2S,5S)-5-[[(2S)-3-amino-2-methyl-3-oxopropyl]amino]-3,4-dioxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-14-(3-amino-3-oxopropyl)-5-[(4-hydroxyphenyl)methyl]-8-(1H-indol-3-ylmethyl)-11,20,32-trimethyl-17-(2-methylpropyl)-3,6,9,12,13,18,33-heptaoxo-1,4,7,10,15,19-hexazacyclotritriacont-24-en-2-yl]propanoic acid
CID 158039733
3-[(2S,8S,11S,14S,17R,20S,24E,32R)-32-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-20-[[1-[[(2S)-1-[[1-[[(2S,5S)-5-[[(2S)-3-amino-2-methyl-3-oxopropyl]amino]-3,4-dioxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-14-(3-amino-3-oxopropyl)-5-[(4-hydroxyphenyl)methyl]-8-(1H-indol-3-ylmethyl)-11,20,32-trimethyl-17-(2-methylpropyl)-3,6,9,12,13,18,33-heptaoxo-1,4,7,10,15,19-hexazacyclotritriacont-24-en-2-yl]propanoic acid
CID 157174511
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1-[[(3S,6S,9S,12S,15S,18S,21R,28Z,33S)-33-[[(2S)-5-amino-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]-18-(2-amino-2-oxoethyl)-9-(3-carbamimidamidopropyl)-12-(1H-indol-3-ylmethyl)-21,33-dimethyl-3,6,15-tris(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotritriacont-28-en-21-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]pentanediamide
CID 171352865
(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S,5S,8S,11S,14S,17S,20S,25E,32R)-32-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-2-(2-amino-2-oxoethyl)-11-[3-(diaminomethylamino)propyl]-8-(1H-indol-3-ylmethyl)-20,32-dimethyl-5,14,17-tris(2-methylpropyl)-3,6,9,12,15,18,33-heptaoxo-1,4,7,10,13,16,19-heptazacyclotritriacont-25-ene-20-carbonyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid
CID 78225274
3-[(6S,9S,21R,27S,30S,33S)-21-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-9-[[(2S)-1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamoyl]-27-[(4-hydroxyphenyl)methyl]-30-(1H-indol-3-ylmethyl)-9,21,24-trimethyl-6-(2-methylpropyl)-4,7,22,25,28,31,34-heptaoxo-5,8,23,26,29,32-hexazaspiro[2.32]pentatriacont-13-en-33-yl]propanoic acid
CID 158254625
3-[(2S,8S,14S,17R,20S,24E,32R)-32-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(3,4-difluorophenyl)propanoyl]amino]-20-[[(2S)-1-[[1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]-14-(3-amino-3-oxopropyl)-5-[(4-hydroxyphenyl)methyl]-8-(1H-indol-3-ylmethyl)-11,20,32-trimethyl-17-(3-methylbutyl)-3,6,9,12,13,18,33-heptaoxo-1,4,7,10,15,19-hexazacyclotritriacont-24-en-2-yl]propanoic acid
CID 159898144
3-[(2S,8S,12S,15S,19E,27S)-15-[[1-[[(2S)-1-[[1-[[(2S)-1-[[1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-5-[(4-hydroxyphenyl)methyl]-8-(1H-indol-3-ylmethyl)-15,27-dimethyl-12-(2-methylpropyl)-3,6,9,13,28-pentaoxo-27-(2-oxopropyl)-1,4,7,14-tetrazacyclooctacos-19-en-2-yl]propanoic acid
CID 158472244

Frequently Asked Questions

What is the IUPAC name of (2R)-5-[(8R,11R,15S,18S)-8-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-11-(1H-indol-3-ylmethyl)-8,18-dimethyl-15-(2-methylpropyl)-9,12,16-trioxo-1,17,23,24-tetrazabicyclo[20.2.1]pentacosa-22(25),23-dien-18-yl]-N-(1-amino-1-oxopropan-2-yl)-5-oxo-2-propylpentanamide?
The IUPAC name of (2R)-5-[(8R,11R,15S,18S)-8-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-11-(1H-indol-3-ylmethyl)-8,18-dimethyl-15-(2-methylpropyl)-9,12,16-trioxo-1,17,23,24-tetrazabicyclo[20.2.1]pentacosa-22(25),23-dien-18-yl]-N-(1-amino-1-oxopropan-2-yl)-5-oxo-2-propylpentanamide (CID 161482548) is (2R)-5-[(8R,11R,15S,18S)-8-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-11-(1H-indol-3-ylmethyl)-8,18-dimethyl-15-(2-methylpropyl)-9,12,16-trioxo-1,17,23,24-tetrazabicyclo[20.2.1]pentacosa-22(25),23-dien-18-yl]-N-(1-amino-1-oxopropan-2-yl)-5-oxo-2-propylpentanamide.
What is the SMILES notation for (2R)-5-[(8R,11R,15S,18S)-8-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-11-(1H-indol-3-ylmethyl)-8,18-dimethyl-15-(2-methylpropyl)-9,12,16-trioxo-1,17,23,24-tetrazabicyclo[20.2.1]pentacosa-22(25),23-dien-18-yl]-N-(1-amino-1-oxopropan-2-yl)-5-oxo-2-propylpentanamide?
The canonical SMILES for (2R)-5-[(8R,11R,15S,18S)-8-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-11-(1H-indol-3-ylmethyl)-8,18-dimethyl-15-(2-methylpropyl)-9,12,16-trioxo-1,17,23,24-tetrazabicyclo[20.2.1]pentacosa-22(25),23-dien-18-yl]-N-(1-amino-1-oxopropan-2-yl)-5-oxo-2-propylpentanamide is CCC[C@H](CCC(=O)[C@]1(C)CCCc2cn(nn2)CCCCCC[C@@](C)(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)C[C@@H](Cc2c[nH]c3ccccc23)C(=O)CC[C@@H](CC(C)C)C(=O)N1)C(=O)NC(C)C(N)=O.
What is the InChIKey of (2R)-5-[(8R,11R,15S,18S)-8-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-11-(1H-indol-3-ylmethyl)-8,18-dimethyl-15-(2-methylpropyl)-9,12,16-trioxo-1,17,23,24-tetrazabicyclo[20.2.1]pentacosa-22(25),23-dien-18-yl]-N-(1-amino-1-oxopropan-2-yl)-5-oxo-2-propylpentanamide?
The InChIKey is WEODPROSQYACSC-KEKSZCTOSA-N. The full InChI is InChI=1S/C68H101N11O11/c1-11-22-48(62(86)71-44(6)61(69)85)29-31-58(83)67(9)33-21-25-52-41-79(78-77-52)34-20-13-12-19-32-68(10,59(84)39-50(38-51-40-70-54-27-18-17-26-53(51)54)57(82)30-28-49(35-42(2)3)63(87)75-67)76-65(89)56(37-47-23-15-14-16-24-47)73-66(90)60(45(7)80)74-64(88)55(36-43(4)5)72-46(8)81/h14-18,23-24,26-27,40-45,48-50,55-56,60,70,80H,11-13,19-22,25,28-39H2,1-10H3,(H2,69,85)(H,71,86)(H,72,81)(H,73,90)(H,74,88)(H,75,87)(H,76,89)/t44?,45-,48-,49+,50-,55+,56+,60+,67+,68-/m1/s1.
What are the key properties of (2R)-5-[(8R,11R,15S,18S)-8-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-11-(1H-indol-3-ylmethyl)-8,18-dimethyl-15-(2-methylpropyl)-9,12,16-trioxo-1,17,23,24-tetrazabicyclo[20.2.1]pentacosa-22(25),23-dien-18-yl]-N-(1-amino-1-oxopropan-2-yl)-5-oxo-2-propylpentanamide?
(2R)-5-[(8R,11R,15S,18S)-8-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-11-(1H-indol-3-ylmethyl)-8,18-dimethyl-15-(2-methylpropyl)-9,12,16-trioxo-1,17,23,24-tetrazabicyclo[20.2.1]pentacosa-22(25),23-dien-18-yl]-N-(1-amino-1-oxopropan-2-yl)-5-oxo-2-propylpentanamide has a molecular weight of 1248.62 g/mol, XLogP of 6.53, 25 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-[(8R,11R,15S,18S)-8-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-11-(1H-indol-3-ylmethyl)-8,18-dimethyl-15-(2-methylpropyl)-9,12,16-trioxo-1,17,23,24-tetrazabicyclo[20.2.1]pentacosa-22(25),23-dien-18-yl]-N-(1-amino-1-oxopropan-2-yl)-5-oxo-2-propylpentanamide is sourced from PubChem (CID 161482548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).