2-[[5-amino-2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]propanoic acid

C19H30N8O7 — CID 18495146

IUPAC2-[[5-amino-2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]propanoic acid
SMILESCC(NC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(N)Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C19H30N8O7/c1-9(19(33)34)25-17(31)12(2-4-14(21)28)27-18(32)13(3-5-15(22)29)26-16(30)11(20)6-10-7-23-8-24-10/h7-9,11-13H,2-6,20H2,1H3,(H2,21,28)(H2,22,29)(H,23,24)(H,25,31)(H,26,30)(H,27,32)(H,33,34)
InChIKeyPKAXEQXSDNUVTB-UHFFFAOYSA-N
MW482.50 g/mol
LogP-3.63
Rot. Bonds15

About 2-[[5-amino-2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]propanoic acid

2-[[5-amino-2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]propanoic acid (PubChem CID 18495146) has the molecular formula C19H30N8O7 and a molecular weight of 482.50 g/mol. Its IUPAC name is 2-[[5-amino-2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[5-amino-2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]propanoic acid
PubChem CID18495146
Molecular FormulaC19H30N8O7
Molecular Weight482.50 g/mol
Exact Mass482.22
IUPAC Name2-[[5-amino-2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]propanoic acid
SMILESCC(NC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(N)Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C19H30N8O7/c1-9(19(33)34)25-17(31)12(2-4-14(21)28)27-18(32)13(3-5-15(22)29)26-16(30)11(20)6-10-7-23-8-24-10/h7-9,11-13H,2-6,20H2,1H3,(H2,21,28)(H2,22,29)(H,23,24)(H,25,31)(H,26,30)(H,27,32)(H,33,34)
InChIKeyPKAXEQXSDNUVTB-UHFFFAOYSA-N
XLogP-3.63
TPSA265.48 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.50
LogP ≤ 5-3.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 2-[[5-amino-2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]propanoic acid with MolForge

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Related Compounds

5-amino-2-[2-[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]propanoylamino]-5-oxopentanoic acid
CID 18492636
2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoic acid
CID 18220658
(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 145455815
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid
CID 145455820
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]butanedioic acid
CID 145455813
5-amino-2-[[2-[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid
CID 18492716
2-[[2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoic acid
CID 18495345
2-[2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]propanoylamino]-3-methylpentanoic acid
CID 18495035
5-amino-2-[[5-amino-2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 18493955
5-amino-2-[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]-5-oxopentanoic acid
CID 18496629
4-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-5-(1-carboxyethylamino)-5-oxopentanoic acid
CID 18499106
3-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[3-carboxy-1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18493889

Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]propanoic acid?
The IUPAC name of 2-[[5-amino-2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]propanoic acid (CID 18495146) is 2-[[5-amino-2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[5-amino-2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]propanoic acid?
The canonical SMILES for 2-[[5-amino-2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]propanoic acid is CC(NC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(N)Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of 2-[[5-amino-2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]propanoic acid?
The InChIKey is PKAXEQXSDNUVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N8O7/c1-9(19(33)34)25-17(31)12(2-4-14(21)28)27-18(32)13(3-5-15(22)29)26-16(30)11(20)6-10-7-23-8-24-10/h7-9,11-13H,2-6,20H2,1H3,(H2,21,28)(H2,22,29)(H,23,24)(H,25,31)(H,26,30)(H,27,32)(H,33,34).
What are the key properties of 2-[[5-amino-2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]propanoic acid?
2-[[5-amino-2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]propanoic acid has a molecular weight of 482.50 g/mol, XLogP of -3.63, 15 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]propanoic acid is sourced from PubChem (CID 18495146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).