4-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-[(3-amino-1-carboxy-3-oxopropyl)amino]-5-oxopentanoic acid

C17H26N6O11 — CID 18247405

IUPAC4-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-[(3-amino-1-carboxy-3-oxopropyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC(NC(=O)C(CCC(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(N)CC(=O)O)C(=O)O
InChIInChI=1S/C17H26N6O11/c18-6(3-13(28)29)14(30)22-8(4-10(19)24)16(32)21-7(1-2-12(26)27)15(31)23-9(17(33)34)5-11(20)25/h6-9H,1-5,18H2,(H2,19,24)(H2,20,25)(H,21,32)(H,22,30)(H,23,31)(H,26,27)(H,28,29)(H,33,34)
InChIKeySEUJOZMGPDWGOR-UHFFFAOYSA-N
MW490.43 g/mol
LogP-5.06
Rot. Bonds16

About 4-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-[(3-amino-1-carboxy-3-oxopropyl)amino]-5-oxopentanoic acid

4-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-[(3-amino-1-carboxy-3-oxopropyl)amino]-5-oxopentanoic acid (PubChem CID 18247405) has the molecular formula C17H26N6O11 and a molecular weight of 490.43 g/mol. Its IUPAC name is 4-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-[(3-amino-1-carboxy-3-oxopropyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-[(3-amino-1-carboxy-3-oxopropyl)amino]-5-oxopentanoic acid
PubChem CID18247405
Molecular FormulaC17H26N6O11
Molecular Weight490.43 g/mol
Exact Mass490.17
IUPAC Name4-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-[(3-amino-1-carboxy-3-oxopropyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC(NC(=O)C(CCC(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(N)CC(=O)O)C(=O)O
InChIInChI=1S/C17H26N6O11/c18-6(3-13(28)29)14(30)22-8(4-10(19)24)16(32)21-7(1-2-12(26)27)15(31)23-9(17(33)34)5-11(20)25/h6-9H,1-5,18H2,(H2,19,24)(H2,20,25)(H,21,32)(H,22,30)(H,23,31)(H,26,27)(H,28,29)(H,33,34)
InChIKeySEUJOZMGPDWGOR-UHFFFAOYSA-N
XLogP-5.06
TPSA311.40 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.43
LogP ≤ 5-5.06
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Analyze 4-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-[(3-amino-1-carboxy-3-oxopropyl)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-[[4-carboxy-2-[[3-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoyl]amino]butanoyl]amino]butanedioic acid
CID 22653378
2-[[2-[[5-amino-2-[(2-amino-3-carboxypropanoyl)amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]butanedioic acid
CID 18249002
4-[[6-amino-2-[(2-amino-3-carboxypropanoyl)amino]hexanoyl]amino]-5-[(3-amino-1-carboxy-3-oxopropyl)amino]-5-oxopentanoic acid
CID 18250996
(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
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
2-[[5-amino-2-[[2-[(2-amino-3-carboxypropanoyl)amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]butanedioic acid
CID 18247825
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
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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-[(3-amino-1-carboxy-3-oxopropyl)amino]-5-oxopentanoic acid?
The IUPAC name of 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) is 4-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-[(3-amino-1-carboxy-3-oxopropyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-[(3-amino-1-carboxy-3-oxopropyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-[(3-amino-1-carboxy-3-oxopropyl)amino]-5-oxopentanoic acid is NC(=O)CC(NC(=O)C(CCC(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(N)CC(=O)O)C(=O)O.
What is the InChIKey of 4-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-[(3-amino-1-carboxy-3-oxopropyl)amino]-5-oxopentanoic acid?
The InChIKey is SEUJOZMGPDWGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O11/c18-6(3-13(28)29)14(30)22-8(4-10(19)24)16(32)21-7(1-2-12(26)27)15(31)23-9(17(33)34)5-11(20)25/h6-9H,1-5,18H2,(H2,19,24)(H2,20,25)(H,21,32)(H,22,30)(H,23,31)(H,26,27)(H,28,29)(H,33,34).
What are the key properties of 4-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-[(3-amino-1-carboxy-3-oxopropyl)amino]-5-oxopentanoic acid?
4-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-[(3-amino-1-carboxy-3-oxopropyl)amino]-5-oxopentanoic acid has a molecular weight of 490.43 g/mol, XLogP of -5.06, 16 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-[(3-amino-1-carboxy-3-oxopropyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 18247405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).