[(1R,3R)-3-[[(2S)-2-[[2-(dimethylamino)-2-methylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] 4-[[1-[[1-(2-methoxyethoxy)-9-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxononan-5-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-4-oxobutanoate

C64H101N9O15S2 — CID 158328727

IUPAC[(1R,3R)-3-[[(2S)-2-[[2-(dimethylamino)-2-methylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] 4-[[1-[[1-(2-methoxyethoxy)-9-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxononan-5-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-4-oxobutanoate
SMILESCCC(C)[C@H](NC(=O)C(C)(C)N(C)C)C(=O)N(C)[C@H](C[C@@H](OC(=O)CC(C)C(=O)NC(C)C(=O)NC(CCCCNC(=O)CCN1C(=O)CC(SC)C1=O)C(=O)CCCOCCOC)c1nc(C(=O)N[C@@H](Cc2ccc(C)cc2)CC(C)OC=O)cs1)C(C)C
InChIInChI=1S/C64H101N9O15S2/c1-16-41(5)56(70-63(84)64(9,10)71(11)12)62(83)72(13)49(39(2)3)35-51(60-69-48(37-90-60)59(81)67-46(33-43(7)87-38-74)34-45-24-22-40(4)23-25-45)88-55(78)32-42(6)57(79)66-44(8)58(80)68-47(50(75)21-19-29-86-31-30-85-14)20-17-18-27-65-53(76)26-28-73-54(77)36-52(89-15)61(73)82/h22-25,37-39,41-44,46-47,49,51-52,56H,16-21,26-36H2,1-15H3,(H,65,76)(H,66,79)(H,67,81)(H,68,80)(H,70,84)/t41?,42?,43?,44?,46-,47?,49-,51-,52?,56+/m1/s1
InChIKeyXHUVMFZHVMRJLJ-QTFJXDDASA-N
MW1300.69 g/mol
LogP5.27
Rot. Bonds43

About [(1R,3R)-3-[[(2S)-2-[[2-(dimethylamino)-2-methylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] 4-[[1-[[1-(2-methoxyethoxy)-9-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxononan-5-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-4-oxobutanoate

[(1R,3R)-3-[[(2S)-2-[[2-(dimethylamino)-2-methylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] 4-[[1-[[1-(2-methoxyethoxy)-9-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxononan-5-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-4-oxobutanoate (PubChem CID 158328727) has the molecular formula C64H101N9O15S2 and a molecular weight of 1300.69 g/mol. Its IUPAC name is [(1R,3R)-3-[[(2S)-2-[[2-(dimethylamino)-2-methylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] 4-[[1-[[1-(2-methoxyethoxy)-9-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxononan-5-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-4-oxobutanoate.

Molecular Properties

Compound Name[(1R,3R)-3-[[(2S)-2-[[2-(dimethylamino)-2-methylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] 4-[[1-[[1-(2-methoxyethoxy)-9-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxononan-5-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-4-oxobutanoate
PubChem CID158328727
Molecular FormulaC64H101N9O15S2
Molecular Weight1300.69 g/mol
Exact Mass1299.69
IUPAC Name[(1R,3R)-3-[[(2S)-2-[[2-(dimethylamino)-2-methylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] 4-[[1-[[1-(2-methoxyethoxy)-9-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxononan-5-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-4-oxobutanoate
SMILESCCC(C)[C@H](NC(=O)C(C)(C)N(C)C)C(=O)N(C)[C@H](C[C@@H](OC(=O)CC(C)C(=O)NC(C)C(=O)NC(CCCCNC(=O)CCN1C(=O)CC(SC)C1=O)C(=O)CCCOCCOC)c1nc(C(=O)N[C@@H](Cc2ccc(C)cc2)CC(C)OC=O)cs1)C(C)C
InChIInChI=1S/C64H101N9O15S2/c1-16-41(5)56(70-63(84)64(9,10)71(11)12)62(83)72(13)49(39(2)3)35-51(60-69-48(37-90-60)59(81)67-46(33-43(7)87-38-74)34-45-24-22-40(4)23-25-45)88-55(78)32-42(6)57(79)66-44(8)58(80)68-47(50(75)21-19-29-86-31-30-85-14)20-17-18-27-65-53(76)26-28-73-54(77)36-52(89-15)61(73)82/h22-25,37-39,41-44,46-47,49,51-52,56H,16-21,26-36H2,1-15H3,(H,65,76)(H,66,79)(H,67,81)(H,68,80)(H,70,84)/t41?,42?,43?,44?,46-,47?,49-,51-,52?,56+/m1/s1
InChIKeyXHUVMFZHVMRJLJ-QTFJXDDASA-N
XLogP5.27
TPSA307.45 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds43
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001300.69
LogP ≤ 55.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze [(1R,3R)-3-[[(2S)-2-[[2-(dimethylamino)-2-methylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] 4-[[1-[[1-(2-methoxyethoxy)-9-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxononan-5-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-4-oxobutanoate with MolForge

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Related Compounds

(4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-[(2S)-butan-2-yl]-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-hydroxy-3-[[(7S)-11-[[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-7-[4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanoylamino]-6-oxoundecanoyl]amino]phenyl]-2-methylpentanoic acid
CID 157058200
(4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-[(dimethylamino)methoxy]-3-[[(7S)-11-[[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-7-[4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanoylamino]-6-oxoundecanoyl]amino]phenyl]-2-methylpentanoic acid
CID 158846059
[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[3-[[13-(2-hydroxyethoxy)-2-methyl-5-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]-4,11-dioxotridecanoyl]amino]propyl]amino]-1-[4-[[(2S)-4-formyloxy-1-pyridin-2-ylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[9-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-6-methyl-14-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-5,8,11-trioxotetradecyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[2-[[2-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptanoyl]amino]propanoylamino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[[9-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-5-(3-methylsulfanyl-2-oxopropyl)-4-oxononanoyl]amino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate
CID 159285572
[(4S)-4-[[2-[(1R,3R)-1-[[1-[2-(2-hydroxyethoxy)ethylamino]-1-oxo-6-[[4-oxo-4-(7,15,17,18-tetraoxo-2,4-dithia-8,11,14-triazatricyclo[12.2.1.15,8]octadecan-11-yl)butanoyl]amino]hexan-2-yl]carbamoyloxy]-4-methyl-3-[methyl-[(2S)-3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-methylphenyl)pentan-2-yl] formate
CID 158399142
(4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[[2-(dimethylamino)-2-methylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[4-[[(2S,3S)-4-[[4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[5-[(2R)-2-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[[2-(dimethylamino)-2-methylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-4-carboxybutyl]-2-hydroxyanilino]propan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-4-oxobutyl]amino]-2,3-bis(2,5-dioxopyrrol-1-yl)-4-oxobutanoyl]amino]butanoylamino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]propyl]amino]-4-hydroxyphenyl]pentanoic acid
CID 172551424
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[[2-(dimethylamino)-2-methylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-[(9S,17R,18S)-17,18-bis[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-9-[4-[3-[2-[2-[2-[2-[2-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butyl]-3,8,11,16,19,24-hexaoxo-25-oxa-2,7,10,15,20-pentazabicyclo[24.4.0]triaconta-1(26),27,29-trien-29-yl]-2-methylpentanoic acid
CID 175845157
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[[2-[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]acetyl]amino]ethyl-methylamino]-2-methylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoic acid
CID 171782501
(2S,4R)-5-[4-[(3S)-8-amino-3-[[(2S)-9-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2,8-dioxooctyl]phenyl]-2-methyl-4-[[2-[(1R,3R)-4-methyl-1-(methylcarbamoyloxy)-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid;methane
CID 161392638
(4R)-4-[[2-[(1R)-1-acetyloxy-4-methyl-3-[methyl-[(3S)-3-methylpentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[3-[4-[[(2S)-6-[[2-(dimethylamino)acetyl]amino]-2-[4-(2,5-dioxo-3-propan-2-ylsulfanylpyrrolidin-1-yl)butanoylamino]hexanoyl]amino]butanoylamino]-4-hydroxyphenyl]-2-methylpentanoic acid
CID 155088593
(2S,3S,4S,5R)-6-[4-[[(2R)-2-[[(2S,3S)-1-[[(1R,3R)-1-acetyloxy-1-[4-[[(2R,4S)-4-carboxy-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]carbamoyl]-1-methylpiperidin-1-ium-1-yl]methyl]-2-[3-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]propanoylamino]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 163901051
(4R)-4-[[2-[(1R)-1-acetyloxy-3-[[(2R,3S)-2-[[2-(dimethylamino)-2-methylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-[3-[4-[[(2S)-2,4-bis[4-(2,5-dioxopyrrol-1-yl)butanoylamino]butanoyl]amino]butanoylamino]-4-hydroxyphenyl]-2-methylpentanoic acid
CID 155088851
(4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[[2-(dimethylamino)-2-methylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-[3-[4-[[(2S)-2,3-bis[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoyl]amino]butanoylamino]-4-hydroxyphenyl]-2-methylpentanoic acid
CID 146637959

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-[[(2S)-2-[[2-(dimethylamino)-2-methylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] 4-[[1-[[1-(2-methoxyethoxy)-9-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxononan-5-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-4-oxobutanoate?
The IUPAC name of [(1R,3R)-3-[[(2S)-2-[[2-(dimethylamino)-2-methylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] 4-[[1-[[1-(2-methoxyethoxy)-9-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxononan-5-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-4-oxobutanoate (CID 158328727) is [(1R,3R)-3-[[(2S)-2-[[2-(dimethylamino)-2-methylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] 4-[[1-[[1-(2-methoxyethoxy)-9-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxononan-5-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-4-oxobutanoate.
What is the SMILES notation for [(1R,3R)-3-[[(2S)-2-[[2-(dimethylamino)-2-methylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] 4-[[1-[[1-(2-methoxyethoxy)-9-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxononan-5-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-4-oxobutanoate?
The canonical SMILES for [(1R,3R)-3-[[(2S)-2-[[2-(dimethylamino)-2-methylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] 4-[[1-[[1-(2-methoxyethoxy)-9-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxononan-5-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-4-oxobutanoate is CCC(C)[C@H](NC(=O)C(C)(C)N(C)C)C(=O)N(C)[C@H](C[C@@H](OC(=O)CC(C)C(=O)NC(C)C(=O)NC(CCCCNC(=O)CCN1C(=O)CC(SC)C1=O)C(=O)CCCOCCOC)c1nc(C(=O)N[C@@H](Cc2ccc(C)cc2)CC(C)OC=O)cs1)C(C)C.
What is the InChIKey of [(1R,3R)-3-[[(2S)-2-[[2-(dimethylamino)-2-methylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] 4-[[1-[[1-(2-methoxyethoxy)-9-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxononan-5-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-4-oxobutanoate?
The InChIKey is XHUVMFZHVMRJLJ-QTFJXDDASA-N. The full InChI is InChI=1S/C64H101N9O15S2/c1-16-41(5)56(70-63(84)64(9,10)71(11)12)62(83)72(13)49(39(2)3)35-51(60-69-48(37-90-60)59(81)67-46(33-43(7)87-38-74)34-45-24-22-40(4)23-25-45)88-55(78)32-42(6)57(79)66-44(8)58(80)68-47(50(75)21-19-29-86-31-30-85-14)20-17-18-27-65-53(76)26-28-73-54(77)36-52(89-15)61(73)82/h22-25,37-39,41-44,46-47,49,51-52,56H,16-21,26-36H2,1-15H3,(H,65,76)(H,66,79)(H,67,81)(H,68,80)(H,70,84)/t41?,42?,43?,44?,46-,47?,49-,51-,52?,56+/m1/s1.
What are the key properties of [(1R,3R)-3-[[(2S)-2-[[2-(dimethylamino)-2-methylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] 4-[[1-[[1-(2-methoxyethoxy)-9-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxononan-5-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-4-oxobutanoate?
[(1R,3R)-3-[[(2S)-2-[[2-(dimethylamino)-2-methylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] 4-[[1-[[1-(2-methoxyethoxy)-9-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxononan-5-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-4-oxobutanoate has a molecular weight of 1300.69 g/mol, XLogP of 5.27, 43 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-[[(2S)-2-[[2-(dimethylamino)-2-methylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] 4-[[1-[[1-(2-methoxyethoxy)-9-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxononan-5-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-4-oxobutanoate is sourced from PubChem (CID 158328727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).