(2S)-2-amino-N-[(1R)-1-cyclohexyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxobutyl]propanamide;(2S)-2-amino-N-[(1R)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxo-1-phenylbutyl]propanamide;dioxoplatinum;hydrochloride

C46H79ClN4O6Pt — CID 159313252

IUPAC(2S)-2-amino-N-[(1R)-1-cyclohexyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxobutyl]propanamide;(2S)-2-amino-N-[(1R)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxo-1-phenylbutyl]propanamide;dioxoplatinum;hydrochloride
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)CC[C@@H](NC(=O)[C@H](C)N)C1CCCCC1.CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)CC[C@@H](NC(=O)[C@H](C)N)c1ccccc1.Cl.O=[Pt]=O
InChIInChI=1S/C23H42N2O2.C23H36N2O2.ClH.2O.Pt/c2*1-15(2)19-11-10-16(3)14-20(19)22(26)13-12-21(25-23(27)17(4)24)18-8-6-5-7-9-18;;;;/h15-21H,5-14,24H2,1-4H3,(H,25,27);5-9,15-17,19-21H,10-14,24H2,1-4H3,(H,25,27);1H;;;/t2*16-,17+,19+,20-,21-;;;;/m11..../s1
InChIKeyCZSJXRAEMDPTHF-ONBBKHBBSA-N
MW1014.69 g/mol
LogP8.89
Rot. Bonds16

About (2S)-2-amino-N-[(1R)-1-cyclohexyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxobutyl]propanamide;(2S)-2-amino-N-[(1R)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxo-1-phenylbutyl]propanamide;dioxoplatinum;hydrochloride

(2S)-2-amino-N-[(1R)-1-cyclohexyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxobutyl]propanamide;(2S)-2-amino-N-[(1R)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxo-1-phenylbutyl]propanamide;dioxoplatinum;hydrochloride (PubChem CID 159313252) has the molecular formula C46H79ClN4O6Pt and a molecular weight of 1014.69 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1R)-1-cyclohexyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxobutyl]propanamide;(2S)-2-amino-N-[(1R)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxo-1-phenylbutyl]propanamide;dioxoplatinum;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1R)-1-cyclohexyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxobutyl]propanamide;(2S)-2-amino-N-[(1R)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxo-1-phenylbutyl]propanamide;dioxoplatinum;hydrochloride
PubChem CID159313252
Molecular FormulaC46H79ClN4O6Pt
Molecular Weight1014.69 g/mol
Exact Mass1013.53
IUPAC Name(2S)-2-amino-N-[(1R)-1-cyclohexyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxobutyl]propanamide;(2S)-2-amino-N-[(1R)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxo-1-phenylbutyl]propanamide;dioxoplatinum;hydrochloride
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)CC[C@@H](NC(=O)[C@H](C)N)C1CCCCC1.CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)CC[C@@H](NC(=O)[C@H](C)N)c1ccccc1.Cl.O=[Pt]=O
InChIInChI=1S/C23H42N2O2.C23H36N2O2.ClH.2O.Pt/c2*1-15(2)19-11-10-16(3)14-20(19)22(26)13-12-21(25-23(27)17(4)24)18-8-6-5-7-9-18;;;;/h15-21H,5-14,24H2,1-4H3,(H,25,27);5-9,15-17,19-21H,10-14,24H2,1-4H3,(H,25,27);1H;;;/t2*16-,17+,19+,20-,21-;;;;/m11..../s1
InChIKeyCZSJXRAEMDPTHF-ONBBKHBBSA-N
XLogP8.89
TPSA178.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001014.69
LogP ≤ 58.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2S)-2-amino-N-[(1R)-1-cyclohexyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxobutyl]propanamide;(2S)-2-amino-N-[(1R)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxo-1-phenylbutyl]propanamide;dioxoplatinum;hydrochloride with MolForge

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Related Compounds

(2S)-2-amino-N-[(4R)-6-methyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1-oxoheptan-4-yl]propanamide;hydrochloride
CID 159636641
[1-[[(1S)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]amino]-1-oxopropan-2-yl]carbamic acid
CID 126616754
(1R,2S,5R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992313
[(2R)-2-[(2-aminoacetyl)amino]-2-phenylethyl] (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 129275677
[2-(2-aminopropanoylamino)-2-phenylethyl] 3-methylcyclohexane-1-carboxylate
CID 145335708
(2S)-N-(2-acetamido-2-phenylethyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 129070902
(1R,2S,5R)-N-[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-2-phenylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 126617150
N-[2-[[(2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]benzamide
CID 129071075
(2S)-2-amino-N-[(4R)-6-methyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1-oxoheptan-4-yl]-4-methylsulfanylbutanamide
CID 147680952
(1R,2S,5R)-N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 126647509
tert-butyl N-[(1R)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]carbamate
CID 126629581
(2R)-2-amino-N-[5-methoxy-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]propanamide
CID 147318580

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1R)-1-cyclohexyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxobutyl]propanamide;(2S)-2-amino-N-[(1R)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxo-1-phenylbutyl]propanamide;dioxoplatinum;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(1R)-1-cyclohexyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxobutyl]propanamide;(2S)-2-amino-N-[(1R)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxo-1-phenylbutyl]propanamide;dioxoplatinum;hydrochloride (CID 159313252) is (2S)-2-amino-N-[(1R)-1-cyclohexyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxobutyl]propanamide;(2S)-2-amino-N-[(1R)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxo-1-phenylbutyl]propanamide;dioxoplatinum;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(1R)-1-cyclohexyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxobutyl]propanamide;(2S)-2-amino-N-[(1R)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxo-1-phenylbutyl]propanamide;dioxoplatinum;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(1R)-1-cyclohexyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxobutyl]propanamide;(2S)-2-amino-N-[(1R)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxo-1-phenylbutyl]propanamide;dioxoplatinum;hydrochloride is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)CC[C@@H](NC(=O)[C@H](C)N)C1CCCCC1.CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)CC[C@@H](NC(=O)[C@H](C)N)c1ccccc1.Cl.O=[Pt]=O.
What is the InChIKey of (2S)-2-amino-N-[(1R)-1-cyclohexyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxobutyl]propanamide;(2S)-2-amino-N-[(1R)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxo-1-phenylbutyl]propanamide;dioxoplatinum;hydrochloride?
The InChIKey is CZSJXRAEMDPTHF-ONBBKHBBSA-N. The full InChI is InChI=1S/C23H42N2O2.C23H36N2O2.ClH.2O.Pt/c2*1-15(2)19-11-10-16(3)14-20(19)22(26)13-12-21(25-23(27)17(4)24)18-8-6-5-7-9-18;;;;/h15-21H,5-14,24H2,1-4H3,(H,25,27);5-9,15-17,19-21H,10-14,24H2,1-4H3,(H,25,27);1H;;;/t2*16-,17+,19+,20-,21-;;;;/m11..../s1.
What are the key properties of (2S)-2-amino-N-[(1R)-1-cyclohexyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxobutyl]propanamide;(2S)-2-amino-N-[(1R)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxo-1-phenylbutyl]propanamide;dioxoplatinum;hydrochloride?
(2S)-2-amino-N-[(1R)-1-cyclohexyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxobutyl]propanamide;(2S)-2-amino-N-[(1R)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxo-1-phenylbutyl]propanamide;dioxoplatinum;hydrochloride has a molecular weight of 1014.69 g/mol, XLogP of 8.89, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1R)-1-cyclohexyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxobutyl]propanamide;(2S)-2-amino-N-[(1R)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-oxo-1-phenylbutyl]propanamide;dioxoplatinum;hydrochloride is sourced from PubChem (CID 159313252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).