[(1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]pentanoyl]amino]pentanoyl]-methylamino]ethyl]phosphonic acid

C19H39N4O6P — CID 54516625

IUPAC[(1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]pentanoyl]amino]pentanoyl]-methylamino]ethyl]phosphonic acid
SMILESCCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC)C(=O)N(C)[C@@H](C)P(=O)(O)O
InChIInChI=1S/C19H39N4O6P/c1-7-9-15(21-17(24)14(20)11-12(3)4)18(25)22-16(10-8-2)19(26)23(6)13(5)30(27,28)29/h12-16H,7-11,20H2,1-6H3,(H,21,24)(H,22,25)(H2,27,28,29)/t13-,14+,15+,16+/m1/s1
InChIKeyYMWHAGMHGCWUSG-UGUYLWEFSA-N
MW450.52 g/mol
LogP0.91
Rot. Bonds13

About [(1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]pentanoyl]amino]pentanoyl]-methylamino]ethyl]phosphonic acid

[(1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]pentanoyl]amino]pentanoyl]-methylamino]ethyl]phosphonic acid (PubChem CID 54516625) has the molecular formula C19H39N4O6P and a molecular weight of 450.52 g/mol. Its IUPAC name is [(1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]pentanoyl]amino]pentanoyl]-methylamino]ethyl]phosphonic acid.

Molecular Properties

Compound Name[(1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]pentanoyl]amino]pentanoyl]-methylamino]ethyl]phosphonic acid
PubChem CID54516625
Molecular FormulaC19H39N4O6P
Molecular Weight450.52 g/mol
Exact Mass450.26
IUPAC Name[(1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]pentanoyl]amino]pentanoyl]-methylamino]ethyl]phosphonic acid
SMILESCCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC)C(=O)N(C)[C@@H](C)P(=O)(O)O
InChIInChI=1S/C19H39N4O6P/c1-7-9-15(21-17(24)14(20)11-12(3)4)18(25)22-16(10-8-2)19(26)23(6)13(5)30(27,28)29/h12-16H,7-11,20H2,1-6H3,(H,21,24)(H,22,25)(H2,27,28,29)/t13-,14+,15+,16+/m1/s1
InChIKeyYMWHAGMHGCWUSG-UGUYLWEFSA-N
XLogP0.91
TPSA162.06 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 50.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid
CID 10306894
(2S)-2-amino-N-[(5S,8S)-8-amino-10-methyl-6,7-dioxoundecan-5-yl]-4-methylpentanamide
CID 148549445
1-[[(2R)-2-(2-aminopentanoylamino)-3-chloropropanoyl]amino]ethylphosphonic acid;ethane;methanol
CID 144923636
2-(2-aminopentanoylamino)-4-methylpentanoic acid
CID 5095064
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 145456412
(2S)-2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid;(2R)-2-[[(2S)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 139248299
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
CID 7282367
2-(2-aminobutanoylamino)-N,N,4-trimethylpentanamide
CID 43699936
2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide
CID 19826425
methyl (2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoate
CID 170220008
(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide
CID 61154397
methyl (2R)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]decanoate
CID 11738548

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]pentanoyl]amino]pentanoyl]-methylamino]ethyl]phosphonic acid?
The IUPAC name of [(1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]pentanoyl]amino]pentanoyl]-methylamino]ethyl]phosphonic acid (CID 54516625) is [(1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]pentanoyl]amino]pentanoyl]-methylamino]ethyl]phosphonic acid.
What is the SMILES notation for [(1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]pentanoyl]amino]pentanoyl]-methylamino]ethyl]phosphonic acid?
The canonical SMILES for [(1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]pentanoyl]amino]pentanoyl]-methylamino]ethyl]phosphonic acid is CCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC)C(=O)N(C)[C@@H](C)P(=O)(O)O.
What is the InChIKey of [(1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]pentanoyl]amino]pentanoyl]-methylamino]ethyl]phosphonic acid?
The InChIKey is YMWHAGMHGCWUSG-UGUYLWEFSA-N. The full InChI is InChI=1S/C19H39N4O6P/c1-7-9-15(21-17(24)14(20)11-12(3)4)18(25)22-16(10-8-2)19(26)23(6)13(5)30(27,28)29/h12-16H,7-11,20H2,1-6H3,(H,21,24)(H,22,25)(H2,27,28,29)/t13-,14+,15+,16+/m1/s1.
What are the key properties of [(1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]pentanoyl]amino]pentanoyl]-methylamino]ethyl]phosphonic acid?
[(1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]pentanoyl]amino]pentanoyl]-methylamino]ethyl]phosphonic acid has a molecular weight of 450.52 g/mol, XLogP of 0.91, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]pentanoyl]amino]pentanoyl]-methylamino]ethyl]phosphonic acid is sourced from PubChem (CID 54516625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).