lithium;dioxoplatinum;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[2-oxo-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]azetidin-1-yl]propanoate;hydroxide

C53H66LiN7O11Pt — CID 159591787

IUPAClithium;dioxoplatinum;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[2-oxo-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]azetidin-1-yl]propanoate;hydroxide
SMILESCCOC(=O)C[C@@H](c1ccc(OC)nc1)N1CC(CCCCc2ccc3c(n2)CCCC3)C1=O.CCOC(=O)C[C@@H](c1ccc(OC)nc1)N1CC(CCCCc2ccc3cccnc3n2)C1=O.O=[Pt]=O.[Li+].[OH-]
InChIInChI=1S/C27H35N3O4.C26H30N4O4.Li.H2O.2O.Pt/c1-3-34-26(31)16-24(20-13-15-25(33-2)28-17-20)30-18-21(27(30)32)9-4-6-10-22-14-12-19-8-5-7-11-23(19)29-22;1-3-34-24(31)15-22(19-11-13-23(33-2)28-16-19)30-17-20(26(30)32)7-4-5-9-21-12-10-18-8-6-14-27-25(18)29-21;;;;;/h12-15,17,21,24H,3-11,16,18H2,1-2H3;6,8,10-14,16,20,22H,3-5,7,9,15,17H2,1-2H3;;1H2;;;/q;;+1;;;;/p-1/t21?,24-;20?,22-;;;;;/m00...../s1
InChIKeyASMYUNODFMUEDN-AYLDDPEPSA-M
MW1179.17 g/mol
LogP4.72
Rot. Bonds22

About lithium;dioxoplatinum;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[2-oxo-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]azetidin-1-yl]propanoate;hydroxide

lithium;dioxoplatinum;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[2-oxo-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]azetidin-1-yl]propanoate;hydroxide (PubChem CID 159591787) has the molecular formula C53H66LiN7O11Pt and a molecular weight of 1179.17 g/mol. Its IUPAC name is lithium;dioxoplatinum;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[2-oxo-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]azetidin-1-yl]propanoate;hydroxide.

Molecular Properties

Compound Namelithium;dioxoplatinum;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[2-oxo-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]azetidin-1-yl]propanoate;hydroxide
PubChem CID159591787
Molecular FormulaC53H66LiN7O11Pt
Molecular Weight1179.17 g/mol
Exact Mass1178.46
IUPAC Namelithium;dioxoplatinum;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[2-oxo-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]azetidin-1-yl]propanoate;hydroxide
SMILESCCOC(=O)C[C@@H](c1ccc(OC)nc1)N1CC(CCCCc2ccc3c(n2)CCCC3)C1=O.CCOC(=O)C[C@@H](c1ccc(OC)nc1)N1CC(CCCCc2ccc3cccnc3n2)C1=O.O=[Pt]=O.[Li+].[OH-]
InChIInChI=1S/C27H35N3O4.C26H30N4O4.Li.H2O.2O.Pt/c1-3-34-26(31)16-24(20-13-15-25(33-2)28-17-20)30-18-21(27(30)32)9-4-6-10-22-14-12-19-8-5-7-11-23(19)29-22;1-3-34-24(31)15-22(19-11-13-23(33-2)28-16-19)30-17-20(26(30)32)7-4-5-9-21-12-10-18-8-6-14-27-25(18)29-21;;;;;/h12-15,17,21,24H,3-11,16,18H2,1-2H3;6,8,10-14,16,20,22H,3-5,7,9,15,17H2,1-2H3;;1H2;;;/q;;+1;;;;/p-1/t21?,24-;20?,22-;;;;;/m00...../s1
InChIKeyASMYUNODFMUEDN-AYLDDPEPSA-M
XLogP4.72
TPSA240.27 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001179.17
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze lithium;dioxoplatinum;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[2-oxo-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]azetidin-1-yl]propanoate;hydroxide with MolForge

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Related Compounds

(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxoazetidin-1-yl]propanoic acid
CID 134500171
3-(3-Fluoro-4-methoxyphenyl)-3-[3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxoazetidin-1-yl]propanoic acid
CID 134500175
ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxoazetidin-1-yl]propanoate
CID 139453412
sodium;tert-butyl 7-[4-[3-[3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]-3-fluoroazetidin-1-yl]-4-oxobutyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(3-fluoroazetidin-3-yl)-3-(6-methoxy-3-pyridinyl)propanoate;ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate;2,2,2-trifluoroacetaldehyde;hydroxide
CID 158917679
(3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]propanoic acid
CID 10203310
3-(6-Methoxy-3-pyridinyl)-3-[3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]propanoic acid
CID 22956145
ethyl 3-(6-methoxy-3-pyridinyl)-6-[(3S)-5-methyl-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate
CID 59899145
methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate
CID 59899153
(3S)-3-(6-methoxy-3-pyridinyl)-3-[3-methyl-3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoic acid
CID 134500053
3-(6-Methoxy-3-pyridinyl)-3-[3-methyl-3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoic acid
CID 134500057
(3S)-3-[3-[4-[8-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]phenyl]-2-oxoazetidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 134500413
3-[3-[4-[8-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]phenyl]-2-oxoazetidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 134500415

Frequently Asked Questions

What is the IUPAC name of lithium;dioxoplatinum;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[2-oxo-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]azetidin-1-yl]propanoate;hydroxide?
The IUPAC name of lithium;dioxoplatinum;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[2-oxo-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]azetidin-1-yl]propanoate;hydroxide (CID 159591787) is lithium;dioxoplatinum;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[2-oxo-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]azetidin-1-yl]propanoate;hydroxide.
What is the SMILES notation for lithium;dioxoplatinum;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[2-oxo-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]azetidin-1-yl]propanoate;hydroxide?
The canonical SMILES for lithium;dioxoplatinum;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[2-oxo-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]azetidin-1-yl]propanoate;hydroxide is CCOC(=O)C[C@@H](c1ccc(OC)nc1)N1CC(CCCCc2ccc3c(n2)CCCC3)C1=O.CCOC(=O)C[C@@H](c1ccc(OC)nc1)N1CC(CCCCc2ccc3cccnc3n2)C1=O.O=[Pt]=O.[Li+].[OH-].
What is the InChIKey of lithium;dioxoplatinum;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[2-oxo-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]azetidin-1-yl]propanoate;hydroxide?
The InChIKey is ASMYUNODFMUEDN-AYLDDPEPSA-M. The full InChI is InChI=1S/C27H35N3O4.C26H30N4O4.Li.H2O.2O.Pt/c1-3-34-26(31)16-24(20-13-15-25(33-2)28-17-20)30-18-21(27(30)32)9-4-6-10-22-14-12-19-8-5-7-11-23(19)29-22;1-3-34-24(31)15-22(19-11-13-23(33-2)28-16-19)30-17-20(26(30)32)7-4-5-9-21-12-10-18-8-6-14-27-25(18)29-21;;;;;/h12-15,17,21,24H,3-11,16,18H2,1-2H3;6,8,10-14,16,20,22H,3-5,7,9,15,17H2,1-2H3;;1H2;;;/q;;+1;;;;/p-1/t21?,24-;20?,22-;;;;;/m00...../s1.
What are the key properties of lithium;dioxoplatinum;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[2-oxo-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]azetidin-1-yl]propanoate;hydroxide?
lithium;dioxoplatinum;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[2-oxo-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]azetidin-1-yl]propanoate;hydroxide has a molecular weight of 1179.17 g/mol, XLogP of 4.72, 22 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;dioxoplatinum;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[2-oxo-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]azetidin-1-yl]propanoate;hydroxide is sourced from PubChem (CID 159591787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).