[1-[[1-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(3-phenylbutan-2-ylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanide;tungsten

C39H66N5O6W- — CID 155711055

IUPAC[1-[[1-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(3-phenylbutan-2-ylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanide;tungsten
SMILESCCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(C)C(C)c1ccccc1)OC)N(C)C(=O)C(NC(=O)C([NH-])C(C)C)C(C)C.[W]
InChIInChI=1S/C39H66N5O6.W/c1-13-25(6)35(43(10)39(48)34(24(4)5)42-38(47)33(40)23(2)3)31(49-11)22-32(45)44-21-17-20-30(44)36(50-12)27(8)37(46)41-28(9)26(7)29-18-15-14-16-19-29;/h14-16,18-19,23-28,30-31,33-36,40H,13,17,20-22H2,1-12H3,(H,41,46)(H,42,47);/q-1;
InChIKeyMEZPBFNVPKKZCX-UHFFFAOYSA-N
MW884.83 g/mol
LogP5.43
Rot. Bonds19

About [1-[[1-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(3-phenylbutan-2-ylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanide;tungsten

[1-[[1-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(3-phenylbutan-2-ylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanide;tungsten (PubChem CID 155711055) has the molecular formula C39H66N5O6W- and a molecular weight of 884.83 g/mol. Its IUPAC name is [1-[[1-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(3-phenylbutan-2-ylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanide;tungsten.

Molecular Properties

Compound Name[1-[[1-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(3-phenylbutan-2-ylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanide;tungsten
PubChem CID155711055
Molecular FormulaC39H66N5O6W-
Molecular Weight884.83 g/mol
Exact Mass884.45
IUPAC Name[1-[[1-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(3-phenylbutan-2-ylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanide;tungsten
SMILESCCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(C)C(C)c1ccccc1)OC)N(C)C(=O)C(NC(=O)C([NH-])C(C)C)C(C)C.[W]
InChIInChI=1S/C39H66N5O6.W/c1-13-25(6)35(43(10)39(48)34(24(4)5)42-38(47)33(40)23(2)3)31(49-11)22-32(45)44-21-17-20-30(44)36(50-12)27(8)37(46)41-28(9)26(7)29-18-15-14-16-19-29;/h14-16,18-19,23-28,30-31,33-36,40H,13,17,20-22H2,1-12H3,(H,41,46)(H,42,47);/q-1;
InChIKeyMEZPBFNVPKKZCX-UHFFFAOYSA-N
XLogP5.43
TPSA141.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.83
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[[1-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(3-phenylbutan-2-ylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanide;tungsten with MolForge

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Launch Full Analysis

Related Compounds

2-acetamido-N-[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(3-phenylbutan-2-ylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
CID 176965825
(2S)-N-[(3R,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2R,3S)-3-phenylbutan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-[[3-methyl-2-[methyl(pyridin-4-ylmethyl)amino]butanoyl]amino]butanamide
CID 167284272
4-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2R,3S)-3-phenylbutan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]butanoic acid
CID 66548248
(2S)-N-[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-amino-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,3-dimethylbutanamide
CID 90275446
(1S,2R)-2-[[(2R,3R)-3-methoxy-3-[(2S)-1-[(4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[methyl(propan-2-yl)amino]butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]-1-phenylpropan-1-olate
CID 156735241
(2S)-N-[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2S)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide
CID 118703652
N-[(2S)-1-[[1-[2-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide
CID 126552180
(2R)-N-[(2R)-1-[[(3S,4R,5S)-1-[(2R)-2-[(1R,2S)-3-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide
CID 124929268
(2R)-N-[(2R)-1-[[(3S,4R,5S)-1-[(2R)-2-[(1S,2S)-3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide
CID 167121911
N-[(2S)-1-[[(3R)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide
CID 138745806
(2S)-2-[[(2S)-2-(dimethylamino)-3-hydroxypropanoyl]amino]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
CID 171438095
[1-[[1-[[1-[(2S)-2-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-methoxy-2-methyl-3-oxopropyl]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]-methylcarbamic acid
CID 166791774

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(3-phenylbutan-2-ylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanide;tungsten?
The IUPAC name of [1-[[1-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(3-phenylbutan-2-ylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanide;tungsten (CID 155711055) is [1-[[1-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(3-phenylbutan-2-ylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanide;tungsten.
What is the SMILES notation for [1-[[1-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(3-phenylbutan-2-ylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanide;tungsten?
The canonical SMILES for [1-[[1-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(3-phenylbutan-2-ylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanide;tungsten is CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(C)C(C)c1ccccc1)OC)N(C)C(=O)C(NC(=O)C([NH-])C(C)C)C(C)C.[W].
What is the InChIKey of [1-[[1-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(3-phenylbutan-2-ylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanide;tungsten?
The InChIKey is MEZPBFNVPKKZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H66N5O6.W/c1-13-25(6)35(43(10)39(48)34(24(4)5)42-38(47)33(40)23(2)3)31(49-11)22-32(45)44-21-17-20-30(44)36(50-12)27(8)37(46)41-28(9)26(7)29-18-15-14-16-19-29;/h14-16,18-19,23-28,30-31,33-36,40H,13,17,20-22H2,1-12H3,(H,41,46)(H,42,47);/q-1;.
What are the key properties of [1-[[1-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(3-phenylbutan-2-ylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanide;tungsten?
[1-[[1-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(3-phenylbutan-2-ylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanide;tungsten has a molecular weight of 884.83 g/mol, XLogP of 5.43, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(3-phenylbutan-2-ylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanide;tungsten is sourced from PubChem (CID 155711055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).