bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate

C52H64N6O15Pt2+8 — CID 51041539

IUPACbis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate
SMILESO.O.O.O.O.O.O.O.O.O=C(NC(Cc1ccccc1)C(=O)O)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)O)c1ccccc1.[Pt+4].[Pt+4].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C16H15NO3.2C10H8N2.9H2O.2Pt/c2*18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;;;;/h2*1-10,14H,11H2,(H,17,18)(H,19,20);2*1-8H;9*1H2;;/q;;;;;;;;;;;;;2*+4
InChIKeyRWOPOIBFEFDMHV-UHFFFAOYSA-N
MW1403.27 g/mol
LogP1.08
Rot. Bonds12

About bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate

bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate (PubChem CID 51041539) has the molecular formula C52H64N6O15Pt2+8 and a molecular weight of 1403.27 g/mol. Its IUPAC name is bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate.

Molecular Properties

Compound Namebis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate
PubChem CID51041539
Molecular FormulaC52H64N6O15Pt2+8
Molecular Weight1403.27 g/mol
Exact Mass1402.37
IUPAC Namebis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate
SMILESO.O.O.O.O.O.O.O.O.O=C(NC(Cc1ccccc1)C(=O)O)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)O)c1ccccc1.[Pt+4].[Pt+4].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C16H15NO3.2C10H8N2.9H2O.2Pt/c2*18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;;;;/h2*1-10,14H,11H2,(H,17,18)(H,19,20);2*1-8H;9*1H2;;/q;;;;;;;;;;;;;2*+4
InChIKeyRWOPOIBFEFDMHV-UHFFFAOYSA-N
XLogP1.08
TPSA467.86 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001403.27
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate
CID 51041763
2-benzamido-3-pyridin-4-ylpropanoic acid
CID 19602413
(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806
2-benzamido-3-phenylpropanoic acid;2-fluoroacetaldehyde
CID 131965188
3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid
CID 115909603
(2R)-2-[[4-(difluoromethylsulfonyl)benzoyl]amino]-3-phenylpropanoic acid
CID 9292250
(2S)-2-[[4-(difluoromethylsulfonyl)benzoyl]amino]-3-phenylpropanoic acid
CID 9292248
(2S)-2-benzamido-3-[4-(2-carboxyethyl)phenyl]propanoic acid
CID 70138871
(2R)-2-[[4-[(E)-2-[4-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]phenyl]ethenyl]benzoyl]amino]-3-phenylpropanoic acid
CID 91827493
N-[(2S)-1-oxo-3-pyridin-4-yl-1-[(6-pyridin-2-yl-3-pyridinyl)methylamino]propan-2-yl]benzamide
CID 166513917
(2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid
CID 101236602
(2S)-2-[[4-[(dibenzylamino)methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 72545523

Frequently Asked Questions

What is the IUPAC name of bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate?
The IUPAC name of bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate (CID 51041539) is bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate.
What is the SMILES notation for bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate?
The canonical SMILES for bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate is O.O.O.O.O.O.O.O.O.O=C(NC(Cc1ccccc1)C(=O)O)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)O)c1ccccc1.[Pt+4].[Pt+4].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate?
The InChIKey is RWOPOIBFEFDMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H15NO3.2C10H8N2.9H2O.2Pt/c2*18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;;;;/h2*1-10,14H,11H2,(H,17,18)(H,19,20);2*1-8H;9*1H2;;/q;;;;;;;;;;;;;2*+4.
What are the key properties of bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate?
bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate has a molecular weight of 1403.27 g/mol, XLogP of 1.08, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate is sourced from PubChem (CID 51041539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).