5-amino-2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid

C15H26N6O8 — CID 18747938

IUPAC5-amino-2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
SMILESCC(O)C(N)C(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C15H26N6O8/c1-6(22)12(18)14(27)19-5-11(25)20-8(4-10(17)24)13(26)21-7(15(28)29)2-3-9(16)23/h6-8,12,22H,2-5,18H2,1H3,(H2,16,23)(H2,17,24)(H,19,27)(H,20,25)(H,21,26)(H,28,29)
InChIKeySIKSOUVRYPHKAN-UHFFFAOYSA-N
MW418.41 g/mol
LogP-4.99
Rot. Bonds13

About 5-amino-2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid

5-amino-2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid (PubChem CID 18747938) has the molecular formula C15H26N6O8 and a molecular weight of 418.41 g/mol. Its IUPAC name is 5-amino-2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
PubChem CID18747938
Molecular FormulaC15H26N6O8
Molecular Weight418.41 g/mol
Exact Mass418.18
IUPAC Name5-amino-2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
SMILESCC(O)C(N)C(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C15H26N6O8/c1-6(22)12(18)14(27)19-5-11(25)20-8(4-10(17)24)13(26)21-7(15(28)29)2-3-9(16)23/h6-8,12,22H,2-5,18H2,1H3,(H2,16,23)(H2,17,24)(H,19,27)(H,20,25)(H,21,26)(H,28,29)
InChIKeySIKSOUVRYPHKAN-UHFFFAOYSA-N
XLogP-4.99
TPSA257.03 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.41
LogP ≤ 5-4.99
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 5-amino-2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid with MolForge

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Related Compounds

2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoic acid
CID 18747936
5-amino-2-[[2-[2-[[4-amino-2-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]propanoylamino]-4-oxobutanoyl]amino]propanoylamino]acetyl]amino]-5-oxopentanoic acid
CID 21293219
(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
CID 175735156
5-[[5-amino-1-[(3-amino-1-carboxy-3-oxopropyl)amino]-1,5-dioxopentan-2-yl]amino]-4-[(2-amino-3-hydroxybutanoyl)amino]-5-oxopentanoic acid
CID 18747215
2-[[2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]acetyl]amino]pentanedioic acid
CID 18233519
(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoic acid
CID 175735307
2-[[5-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoic acid
CID 18748021
(2S)-5-amino-2-[[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]amino]-5-oxopentanoic acid
CID 145456145
5-[(3-amino-1-carboxy-3-oxopropyl)amino]-4-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid
CID 18747195
5-amino-2-[[2-[[4-amino-2-[(2-amino-3-sulfanylpropanoyl)amino]-4-oxobutanoyl]amino]acetyl]amino]-5-oxopentanoic acid
CID 18255430
(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
CID 145458847
5-amino-2-[[4-amino-2-[[2-(2,6-diaminohexanoylamino)acetyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
CID 18305131

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid (CID 18747938) is 5-amino-2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid is CC(O)C(N)C(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid?
The InChIKey is SIKSOUVRYPHKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O8/c1-6(22)12(18)14(27)19-5-11(25)20-8(4-10(17)24)13(26)21-7(15(28)29)2-3-9(16)23/h6-8,12,22H,2-5,18H2,1H3,(H2,16,23)(H2,17,24)(H,19,27)(H,20,25)(H,21,26)(H,28,29).
What are the key properties of 5-amino-2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid?
5-amino-2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid has a molecular weight of 418.41 g/mol, XLogP of -4.99, 13 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 18747938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).