[4-[[(2R)-5-(carbamoylamino)-2-[[(2R)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-(4-methylbenzoyl)amino]propyl]carbamate;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-(methyldisulfanyl)ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol

C92H144ClN13O30S2 — CID 158178288

IUPAC[4-[[(2R)-5-(carbamoylamino)-2-[[(2R)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-(4-methylbenzoyl)amino]propyl]carbamate;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-(methyldisulfanyl)ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol
SMILESCCC(CO)OC(CO)OC.CCC(CO)OC(COC(=O)NCCC(=O)NCCSSC)OC.CCC(CO)OC(COC(=O)NCCC(=O)N[C@@H](C(=O)N[C@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)NCCCN(C(=O)c2ccc(C)cc2)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1)C(C)C)OC.CCC(CO)OC(COC(=O)NCCC(=O)O)OC
InChIInChI=1S/C60H79ClN10O13.C14H28N2O6S2.C11H21NO7.C7H16O4/c1-8-45(34-72)84-50(81-7)36-83-60(80)65-30-27-49(73)69-51(37(2)3)55(75)68-47(16-12-28-63-58(62)78)54(74)66-44-24-19-41(20-25-44)35-82-59(79)64-29-13-31-70(56(76)42-21-17-39(6)18-22-42)52(38(4)5)53-67-48-32-43(61)23-26-46(48)57(77)71(53)33-40-14-10-9-11-15-40;1-4-11(9-17)22-13(20-2)10-21-14(19)16-6-5-12(18)15-7-8-24-23-3;1-3-8(6-13)19-10(17-2)7-18-11(16)12-5-4-9(14)15;1-3-6(4-8)11-7(5-9)10-2/h9-11,14-15,17-26,32,37-38,45,47,50-52,72H,8,12-13,16,27-31,33-36H2,1-7H3,(H,64,79)(H,65,80)(H,66,74)(H,68,75)(H,69,73)(H3,62,63,78);11,13,17H,4-10H2,1-3H3,(H,15,18)(H,16,19);8,10,13H,3-7H2,1-2H3,(H,12,16)(H,14,15);6-9H,3-5H2,1-2H3/t45?,47-,50?,51-,52-;;;/m1.../s1
InChIKeyFYGNZCIJBDGWQT-KSAHSNPESA-N
MW2011.81 g/mol
LogP7.13
Rot. Bonds62

About [4-[[(2R)-5-(carbamoylamino)-2-[[(2R)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-(4-methylbenzoyl)amino]propyl]carbamate;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-(methyldisulfanyl)ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol

[4-[[(2R)-5-(carbamoylamino)-2-[[(2R)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-(4-methylbenzoyl)amino]propyl]carbamate;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-(methyldisulfanyl)ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol (PubChem CID 158178288) has the molecular formula C92H144ClN13O30S2 and a molecular weight of 2011.81 g/mol. Its IUPAC name is [4-[[(2R)-5-(carbamoylamino)-2-[[(2R)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-(4-methylbenzoyl)amino]propyl]carbamate;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-(methyldisulfanyl)ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol.

Molecular Properties

Compound Name[4-[[(2R)-5-(carbamoylamino)-2-[[(2R)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-(4-methylbenzoyl)amino]propyl]carbamate;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-(methyldisulfanyl)ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol
PubChem CID158178288
Molecular FormulaC92H144ClN13O30S2
Molecular Weight2011.81 g/mol
Exact Mass2009.93
IUPAC Name[4-[[(2R)-5-(carbamoylamino)-2-[[(2R)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-(4-methylbenzoyl)amino]propyl]carbamate;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-(methyldisulfanyl)ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol
SMILESCCC(CO)OC(CO)OC.CCC(CO)OC(COC(=O)NCCC(=O)NCCSSC)OC.CCC(CO)OC(COC(=O)NCCC(=O)N[C@@H](C(=O)N[C@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)NCCCN(C(=O)c2ccc(C)cc2)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1)C(C)C)OC.CCC(CO)OC(COC(=O)NCCC(=O)O)OC
InChIInChI=1S/C60H79ClN10O13.C14H28N2O6S2.C11H21NO7.C7H16O4/c1-8-45(34-72)84-50(81-7)36-83-60(80)65-30-27-49(73)69-51(37(2)3)55(75)68-47(16-12-28-63-58(62)78)54(74)66-44-24-19-41(20-25-44)35-82-59(79)64-29-13-31-70(56(76)42-21-17-39(6)18-22-42)52(38(4)5)53-67-48-32-43(61)23-26-46(48)57(77)71(53)33-40-14-10-9-11-15-40;1-4-11(9-17)22-13(20-2)10-21-14(19)16-6-5-12(18)15-7-8-24-23-3;1-3-8(6-13)19-10(17-2)7-18-11(16)12-5-4-9(14)15;1-3-6(4-8)11-7(5-9)10-2/h9-11,14-15,17-26,32,37-38,45,47,50-52,72H,8,12-13,16,27-31,33-36H2,1-7H3,(H,64,79)(H,65,80)(H,66,74)(H,68,75)(H,69,73)(H3,62,63,78);11,13,17H,4-10H2,1-3H3,(H,15,18)(H,16,19);8,10,13H,3-7H2,1-2H3,(H,12,16)(H,14,15);6-9H,3-5H2,1-2H3/t45?,47-,50?,51-,52-;;;/m1.../s1
InChIKeyFYGNZCIJBDGWQT-KSAHSNPESA-N
XLogP7.13
TPSA592.33 Ų
H-Bond Donors16
H-Bond Acceptors33
Rotatable Bonds62
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002011.81
LogP ≤ 57.13
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [4-[[(2R)-5-(carbamoylamino)-2-[[(2R)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-(4-methylbenzoyl)amino]propyl]carbamate;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-(methyldisulfanyl)ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

[4-[[(2R)-5-(carbamoylamino)-2-[[(2R)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-propan-2-yloxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-(4-methylbenzoyl)amino]propyl]carbamate
CID 139394823
[4-[[(2R)-5-(carbamoylamino)-2-[[(2R)-2-[3-[[2-hydroxy-2-(1-hydroxy-4,4,6-trimethylheptan-2-yl)oxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-(4-methylbenzoyl)amino]propyl]carbamate
CID 134534888
[4-[[(2R)-5-(carbamoylamino)-2-[[2-[3-[[2-(1-hydroxy-3-methylbutan-2-yl)oxy-2-[(2-methylpropan-2-yl)oxy]ethoxy]carbonylamino]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-(4-methylbenzoyl)amino]propyl]carbamate
CID 139375876
[4-[[(2R)-5-(carbamoylamino)-2-[[(2R)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(2S,3R)-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]cyclopentyl]-3,5-dimethyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-(methyldisulfanyl)ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol
CID 158264133
[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] 5-[[(2R)-1-[[(2R)-5-(carbamoylamino)-1-[4-[[2-[[(1R)-1-(chloromethyl)-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2-dihydrobenzo[e]indol-5-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoate
CID 90231844
[4-[[(2R)-5-(carbamoylamino)-2-[[(2R)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
CID 90231791
4-[[1-[2-benzyl-5-(2,5-difluorophenyl)-1,2,4-triazol-3-yl]-2,2-dimethylpropyl]-[3-[[4-[[5-(carbamoylamino)-2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonylamino]propyl]carbamoyl]piperazine-1-sulfinate
CID 123263054
N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-fluorobenzamide
CID 10229801
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-(2-aminoethyl)carbamate
CID 90275566
[4-[[(2S)-5-(carbamoylamino)-2-[[(2R)-2-(heptanoylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-pentylcarbamate
CID 163774821
[4-[[5-(carbamoylamino)-2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[(2-aminoacetyl)-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]amino]pentan-3-yl]carbamate
CID 123743192
4-[[(2S)-1-[[(2S)-1-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]anilino]-5-(carbamoylamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
CID 172699236

Frequently Asked Questions

What is the IUPAC name of [4-[[(2R)-5-(carbamoylamino)-2-[[(2R)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-(4-methylbenzoyl)amino]propyl]carbamate;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-(methyldisulfanyl)ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol?
The IUPAC name of [4-[[(2R)-5-(carbamoylamino)-2-[[(2R)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-(4-methylbenzoyl)amino]propyl]carbamate;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-(methyldisulfanyl)ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol (CID 158178288) is [4-[[(2R)-5-(carbamoylamino)-2-[[(2R)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-(4-methylbenzoyl)amino]propyl]carbamate;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-(methyldisulfanyl)ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol.
What is the SMILES notation for [4-[[(2R)-5-(carbamoylamino)-2-[[(2R)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-(4-methylbenzoyl)amino]propyl]carbamate;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-(methyldisulfanyl)ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol?
The canonical SMILES for [4-[[(2R)-5-(carbamoylamino)-2-[[(2R)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-(4-methylbenzoyl)amino]propyl]carbamate;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-(methyldisulfanyl)ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol is CCC(CO)OC(CO)OC.CCC(CO)OC(COC(=O)NCCC(=O)NCCSSC)OC.CCC(CO)OC(COC(=O)NCCC(=O)N[C@@H](C(=O)N[C@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)NCCCN(C(=O)c2ccc(C)cc2)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1)C(C)C)OC.CCC(CO)OC(COC(=O)NCCC(=O)O)OC.
What is the InChIKey of [4-[[(2R)-5-(carbamoylamino)-2-[[(2R)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-(4-methylbenzoyl)amino]propyl]carbamate;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-(methyldisulfanyl)ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol?
The InChIKey is FYGNZCIJBDGWQT-KSAHSNPESA-N. The full InChI is InChI=1S/C60H79ClN10O13.C14H28N2O6S2.C11H21NO7.C7H16O4/c1-8-45(34-72)84-50(81-7)36-83-60(80)65-30-27-49(73)69-51(37(2)3)55(75)68-47(16-12-28-63-58(62)78)54(74)66-44-24-19-41(20-25-44)35-82-59(79)64-29-13-31-70(56(76)42-21-17-39(6)18-22-42)52(38(4)5)53-67-48-32-43(61)23-26-46(48)57(77)71(53)33-40-14-10-9-11-15-40;1-4-11(9-17)22-13(20-2)10-21-14(19)16-6-5-12(18)15-7-8-24-23-3;1-3-8(6-13)19-10(17-2)7-18-11(16)12-5-4-9(14)15;1-3-6(4-8)11-7(5-9)10-2/h9-11,14-15,17-26,32,37-38,45,47,50-52,72H,8,12-13,16,27-31,33-36H2,1-7H3,(H,64,79)(H,65,80)(H,66,74)(H,68,75)(H,69,73)(H3,62,63,78);11,13,17H,4-10H2,1-3H3,(H,15,18)(H,16,19);8,10,13H,3-7H2,1-2H3,(H,12,16)(H,14,15);6-9H,3-5H2,1-2H3/t45?,47-,50?,51-,52-;;;/m1.../s1.
What are the key properties of [4-[[(2R)-5-(carbamoylamino)-2-[[(2R)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-(4-methylbenzoyl)amino]propyl]carbamate;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-(methyldisulfanyl)ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol?
[4-[[(2R)-5-(carbamoylamino)-2-[[(2R)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-(4-methylbenzoyl)amino]propyl]carbamate;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-(methyldisulfanyl)ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol has a molecular weight of 2011.81 g/mol, XLogP of 7.13, 62 rotatable bonds, 16 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2R)-5-(carbamoylamino)-2-[[(2R)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-(4-methylbenzoyl)amino]propyl]carbamate;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-(methyldisulfanyl)ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol is sourced from PubChem (CID 158178288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).