(2S)-2-amino-N-[(2S)-5-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide

C15H26N6O6 — CID 123711224

IUPAC(2S)-2-amino-N-[(2S)-5-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide
SMILESNC(=O)CC[C@@H](C=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O
InChIInChI=1S/C15H26N6O6/c16-9(2-5-12(18)24)14(26)21-10(3-6-13(19)25)15(27)20-8(7-22)1-4-11(17)23/h7-10H,1-6,16H2,(H2,17,23)(H2,18,24)(H2,19,25)(H,20,27)(H,21,26)/t8-,9-,10-/m0/s1
InChIKeyQFFDCWLFEHKMOK-GUBZILKMSA-N
MW386.41 g/mol
LogP-3.72
Rot. Bonds14

About (2S)-2-amino-N-[(2S)-5-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide

(2S)-2-amino-N-[(2S)-5-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide (PubChem CID 123711224) has the molecular formula C15H26N6O6 and a molecular weight of 386.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-5-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-5-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide
PubChem CID123711224
Molecular FormulaC15H26N6O6
Molecular Weight386.41 g/mol
Exact Mass386.19
IUPAC Name(2S)-2-amino-N-[(2S)-5-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide
SMILESNC(=O)CC[C@@H](C=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O
InChIInChI=1S/C15H26N6O6/c16-9(2-5-12(18)24)14(26)21-10(3-6-13(19)25)15(27)20-8(7-22)1-4-11(17)23/h7-10H,1-6,16H2,(H2,17,23)(H2,18,24)(H2,19,25)(H,20,27)(H,21,26)/t8-,9-,10-/m0/s1
InChIKeyQFFDCWLFEHKMOK-GUBZILKMSA-N
XLogP-3.72
TPSA230.56 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.41
LogP ≤ 5-3.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[(2S)-4-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide
CID 123178673
(2S)-2-amino-N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanediamide
CID 173162221
(2S)-2-amino-N-[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]pentanediamide
CID 173087350
[(4S)-5-[[(2S)-6-azaniumyl-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentyl]-(diaminomethylidene)azanium
CID 170513395
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]pentanedioic acid
CID 67053722
4-amino-5-[[5-amino-1-[(4-amino-1-carboxy-4-oxobutyl)amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
CID 18220251
2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid
CID 18220633
(4S)-5-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid
CID 123995308
5-amino-2-[[5-amino-2-[[2-[[2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 23088280
2-[[5-amino-2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]propanoic acid
CID 18479282
2-[[5-amino-2-[[2-[(2-amino-4-carboxybutanoyl)amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]butanedioic acid
CID 18263773
2-[[2-[[5-amino-2-[(2-amino-4-carboxybutanoyl)amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]butanedioic acid
CID 18264939

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-5-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-5-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide (CID 123711224) is (2S)-2-amino-N-[(2S)-5-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-5-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-5-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide is NC(=O)CC[C@@H](C=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O.
What is the InChIKey of (2S)-2-amino-N-[(2S)-5-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide?
The InChIKey is QFFDCWLFEHKMOK-GUBZILKMSA-N. The full InChI is InChI=1S/C15H26N6O6/c16-9(2-5-12(18)24)14(26)21-10(3-6-13(19)25)15(27)20-8(7-22)1-4-11(17)23/h7-10H,1-6,16H2,(H2,17,23)(H2,18,24)(H2,19,25)(H,20,27)(H,21,26)/t8-,9-,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-5-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide?
(2S)-2-amino-N-[(2S)-5-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide has a molecular weight of 386.41 g/mol, XLogP of -3.72, 14 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-5-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide is sourced from PubChem (CID 123711224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).