disodium;(2S)-2-amino-5-[(4S)-4-amino-5-[(4S)-4-amino-4-carboxybutanoyl]oxy-5-oxopentanoyl]oxy-5-oxopentanoic acid;hydride

C15H25N3Na2O10 — CID 173377229

IUPACdisodium;(2S)-2-amino-5-[(4S)-4-amino-5-[(4S)-4-amino-4-carboxybutanoyl]oxy-5-oxopentanoyl]oxy-5-oxopentanoic acid;hydride
SMILESN[C@@H](CCC(=O)OC(=O)CC[C@H](N)C(=O)OC(=O)CC[C@H](N)C(=O)O)C(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C15H23N3O10.2Na.2H/c16-7(13(22)23)1-4-10(19)27-11(20)6-3-9(18)15(26)28-12(21)5-2-8(17)14(24)25;;;;/h7-9H,1-6,16-18H2,(H,22,23)(H,24,25);;;;/q;2*+1;2*-1/t7-,8-,9-;;;;/m0..../s1
InChIKeyKNOARVWFQWWXLQ-WWHJSGOESA-N
MW453.36 g/mol
LogP-8.15
Rot. Bonds12

About disodium;(2S)-2-amino-5-[(4S)-4-amino-5-[(4S)-4-amino-4-carboxybutanoyl]oxy-5-oxopentanoyl]oxy-5-oxopentanoic acid;hydride

disodium;(2S)-2-amino-5-[(4S)-4-amino-5-[(4S)-4-amino-4-carboxybutanoyl]oxy-5-oxopentanoyl]oxy-5-oxopentanoic acid;hydride (PubChem CID 173377229) has the molecular formula C15H25N3Na2O10 and a molecular weight of 453.36 g/mol. Its IUPAC name is disodium;(2S)-2-amino-5-[(4S)-4-amino-5-[(4S)-4-amino-4-carboxybutanoyl]oxy-5-oxopentanoyl]oxy-5-oxopentanoic acid;hydride.

Molecular Properties

Compound Namedisodium;(2S)-2-amino-5-[(4S)-4-amino-5-[(4S)-4-amino-4-carboxybutanoyl]oxy-5-oxopentanoyl]oxy-5-oxopentanoic acid;hydride
PubChem CID173377229
Molecular FormulaC15H25N3Na2O10
Molecular Weight453.36 g/mol
Exact Mass453.13
IUPAC Namedisodium;(2S)-2-amino-5-[(4S)-4-amino-5-[(4S)-4-amino-4-carboxybutanoyl]oxy-5-oxopentanoyl]oxy-5-oxopentanoic acid;hydride
SMILESN[C@@H](CCC(=O)OC(=O)CC[C@H](N)C(=O)OC(=O)CC[C@H](N)C(=O)O)C(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C15H23N3O10.2Na.2H/c16-7(13(22)23)1-4-10(19)27-11(20)6-3-9(18)15(26)28-12(21)5-2-8(17)14(24)25;;;;/h7-9H,1-6,16-18H2,(H,22,23)(H,24,25);;;;/q;2*+1;2*-1/t7-,8-,9-;;;;/m0..../s1
InChIKeyKNOARVWFQWWXLQ-WWHJSGOESA-N
XLogP-8.15
TPSA239.40 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.36
LogP ≤ 5-8.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze disodium;(2S)-2-amino-5-[(4S)-4-amino-5-[(4S)-4-amino-4-carboxybutanoyl]oxy-5-oxopentanoyl]oxy-5-oxopentanoic acid;hydride with MolForge

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Related Compounds

(2S)-2-amino-5-(4-carboxybutanoyloxy)-5-oxopentanoic acid
CID 175510261
sodium;(2S)-2-amino-5-dodecanoyloxy-5-oxopentanoic acid;hydride;hydrochloride
CID 175545509
(2S)-2-amino-5-(2-hydroxypropanoyloxy)-5-oxopentanoic acid;chromium
CID 174924708
tetrasodium;tetrakis(2-[(4S)-4-amino-4-carboxybutanoyl]oxypropanedioic acid);hydride
CID 172999198
bis[(2S)-2-amino-4-hydroxybutanoyl] butanedioate
CID 91277760
tetrasodium;ditetradecanoyl (2S)-2-aminopentanedioate;hydride
CID 175312951
(2S)-2-amino-5-nonanoyloxy-5-oxopentanoic acid
CID 175416934
(2S)-2-amino-5-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-5-oxopentanoic acid
CID 57044405
sodium;(2R)-2-aminopentanedioic acid;hydride
CID 172998244
sodium;(2R)-2-aminopentanedioic acid;hydride;hydrate
CID 173032516
potassium;sodium;2,5-diamino-5-oxopentanoic acid;hydride
CID 175449212
(2S)-2-acetamido-4-[(4S)-5-[(3S)-3-acetamido-3-carboxypropanoyl]oxy-4-amino-5-oxopentanoyl]oxy-4-oxobutanoic acid
CID 174617708

Frequently Asked Questions

What is the IUPAC name of disodium;(2S)-2-amino-5-[(4S)-4-amino-5-[(4S)-4-amino-4-carboxybutanoyl]oxy-5-oxopentanoyl]oxy-5-oxopentanoic acid;hydride?
The IUPAC name of disodium;(2S)-2-amino-5-[(4S)-4-amino-5-[(4S)-4-amino-4-carboxybutanoyl]oxy-5-oxopentanoyl]oxy-5-oxopentanoic acid;hydride (CID 173377229) is disodium;(2S)-2-amino-5-[(4S)-4-amino-5-[(4S)-4-amino-4-carboxybutanoyl]oxy-5-oxopentanoyl]oxy-5-oxopentanoic acid;hydride.
What is the SMILES notation for disodium;(2S)-2-amino-5-[(4S)-4-amino-5-[(4S)-4-amino-4-carboxybutanoyl]oxy-5-oxopentanoyl]oxy-5-oxopentanoic acid;hydride?
The canonical SMILES for disodium;(2S)-2-amino-5-[(4S)-4-amino-5-[(4S)-4-amino-4-carboxybutanoyl]oxy-5-oxopentanoyl]oxy-5-oxopentanoic acid;hydride is N[C@@H](CCC(=O)OC(=O)CC[C@H](N)C(=O)OC(=O)CC[C@H](N)C(=O)O)C(=O)O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;(2S)-2-amino-5-[(4S)-4-amino-5-[(4S)-4-amino-4-carboxybutanoyl]oxy-5-oxopentanoyl]oxy-5-oxopentanoic acid;hydride?
The InChIKey is KNOARVWFQWWXLQ-WWHJSGOESA-N. The full InChI is InChI=1S/C15H23N3O10.2Na.2H/c16-7(13(22)23)1-4-10(19)27-11(20)6-3-9(18)15(26)28-12(21)5-2-8(17)14(24)25;;;;/h7-9H,1-6,16-18H2,(H,22,23)(H,24,25);;;;/q;2*+1;2*-1/t7-,8-,9-;;;;/m0..../s1.
What are the key properties of disodium;(2S)-2-amino-5-[(4S)-4-amino-5-[(4S)-4-amino-4-carboxybutanoyl]oxy-5-oxopentanoyl]oxy-5-oxopentanoic acid;hydride?
disodium;(2S)-2-amino-5-[(4S)-4-amino-5-[(4S)-4-amino-4-carboxybutanoyl]oxy-5-oxopentanoyl]oxy-5-oxopentanoic acid;hydride has a molecular weight of 453.36 g/mol, XLogP of -8.15, 12 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(2S)-2-amino-5-[(4S)-4-amino-5-[(4S)-4-amino-4-carboxybutanoyl]oxy-5-oxopentanoyl]oxy-5-oxopentanoic acid;hydride is sourced from PubChem (CID 173377229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).