5-amino-2-[[4-amino-2-[[4-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]butanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid

C18H29N7O10 — CID 22654120

IUPAC5-amino-2-[[4-amino-2-[[4-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]butanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)C(CC(N)=O)NC(=O)C(CCC(=O)O)NC(=O)C(N)CC(N)=O)C(=O)O
InChIInChI=1S/C18H29N7O10/c19-7(5-12(21)27)15(31)23-8(2-4-14(29)30)16(32)25-10(6-13(22)28)17(33)24-9(18(34)35)1-3-11(20)26/h7-10H,1-6,19H2,(H2,20,26)(H2,21,27)(H2,22,28)(H,23,31)(H,24,33)(H,25,32)(H,29,30)(H,34,35)
InChIKeyKSUNZNCFBFGLIK-UHFFFAOYSA-N
MW503.47 g/mol
LogP-5.27
Rot. Bonds17

About 5-amino-2-[[4-amino-2-[[4-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]butanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid

5-amino-2-[[4-amino-2-[[4-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]butanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid (PubChem CID 22654120) has the molecular formula C18H29N7O10 and a molecular weight of 503.47 g/mol. Its IUPAC name is 5-amino-2-[[4-amino-2-[[4-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]butanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[4-amino-2-[[4-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]butanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
PubChem CID22654120
Molecular FormulaC18H29N7O10
Molecular Weight503.47 g/mol
Exact Mass503.20
IUPAC Name5-amino-2-[[4-amino-2-[[4-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]butanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)C(CC(N)=O)NC(=O)C(CCC(=O)O)NC(=O)C(N)CC(N)=O)C(=O)O
InChIInChI=1S/C18H29N7O10/c19-7(5-12(21)27)15(31)23-8(2-4-14(29)30)16(32)25-10(6-13(22)28)17(33)24-9(18(34)35)1-3-11(20)26/h7-10H,1-6,19H2,(H2,20,26)(H2,21,27)(H2,22,28)(H,23,31)(H,24,33)(H,25,32)(H,29,30)(H,34,35)
InChIKeyKSUNZNCFBFGLIK-UHFFFAOYSA-N
XLogP-5.27
TPSA317.19 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.47
LogP ≤ 5-5.27
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Analyze 5-amino-2-[[4-amino-2-[[4-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]butanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

5-amino-2-[[2-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid
CID 18247409
2-[[4-amino-2-[[4-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]butanoyl]amino]-4-oxobutanoyl]amino]pentanedioic acid
CID 22654119
2-[[2-[[5-amino-2-[(2-amino-3-carboxypropanoyl)amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 18249004
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid
CID 145454423
2-[[5-amino-2-[[5-amino-2-[(2-amino-3-carboxypropanoyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]pentanedioic acid
CID 18249024
5-amino-2-[[4-amino-2-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
CID 18247349
4-amino-2-[[4-amino-2-[[5-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoic acid
CID 22654515
5-amino-2-[[5-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 18219092
2-[(2,4-diamino-4-oxobutanoyl)amino]pentanedioic acid
CID 18218179
(4S)-4-amino-5-[[(2S)-5-amino-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
CID 145455354
2-[[4-carboxy-2-[[3-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoyl]amino]butanoyl]amino]butanedioic acid
CID 22653378
4-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-[(3-amino-1-carboxy-3-oxopropyl)amino]-5-oxopentanoic acid
CID 18247405

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[4-amino-2-[[4-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]butanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[[4-amino-2-[[4-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]butanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid (CID 22654120) is 5-amino-2-[[4-amino-2-[[4-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]butanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[[4-amino-2-[[4-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]butanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[[4-amino-2-[[4-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]butanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid is NC(=O)CCC(NC(=O)C(CC(N)=O)NC(=O)C(CCC(=O)O)NC(=O)C(N)CC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-[[4-amino-2-[[4-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]butanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid?
The InChIKey is KSUNZNCFBFGLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O10/c19-7(5-12(21)27)15(31)23-8(2-4-14(29)30)16(32)25-10(6-13(22)28)17(33)24-9(18(34)35)1-3-11(20)26/h7-10H,1-6,19H2,(H2,20,26)(H2,21,27)(H2,22,28)(H,23,31)(H,24,33)(H,25,32)(H,29,30)(H,34,35).
What are the key properties of 5-amino-2-[[4-amino-2-[[4-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]butanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid?
5-amino-2-[[4-amino-2-[[4-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]butanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid has a molecular weight of 503.47 g/mol, XLogP of -5.27, 17 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[4-amino-2-[[4-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]butanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 22654120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).