copper (2S)-6-amino-2-[[(2S)-2-(2-aminoacetyl)azanidyl-3-(1,2-dihydroimidazol-3-id-4-yl)propanoyl]amino]hexanoate

C14H23CuN6O4- — CID 172878384

IUPACcopper (2S)-6-amino-2-[[(2S)-2-(2-aminoacetyl)azanidyl-3-(1,2-dihydroimidazol-3-id-4-yl)propanoyl]amino]hexanoate
SMILESNCCCC[C@H](NC(=O)[C@H](CC1=CNC[N-]1)[N-]C(=O)CN)C(=O)[O-].[Cu+2]
InChIInChI=1S/C14H25N6O4.Cu/c15-4-2-1-3-10(14(23)24)20-13(22)11(19-12(21)6-16)5-9-7-17-8-18-9;/h7,10-11,17H,1-6,8,15-16H2,(H3,19,20,21,22,23,24);/q-1;+2/p-2/t10-,11-;/m0./s1
InChIKeyPSXACKMIRDXEEH-ACMTZBLWSA-L
MW402.92 g/mol
LogP-2.26
Rot. Bonds11

About copper (2S)-6-amino-2-[[(2S)-2-(2-aminoacetyl)azanidyl-3-(1,2-dihydroimidazol-3-id-4-yl)propanoyl]amino]hexanoate

copper (2S)-6-amino-2-[[(2S)-2-(2-aminoacetyl)azanidyl-3-(1,2-dihydroimidazol-3-id-4-yl)propanoyl]amino]hexanoate (PubChem CID 172878384) has the molecular formula C14H23CuN6O4- and a molecular weight of 402.92 g/mol. Its IUPAC name is copper (2S)-6-amino-2-[[(2S)-2-(2-aminoacetyl)azanidyl-3-(1,2-dihydroimidazol-3-id-4-yl)propanoyl]amino]hexanoate.

Molecular Properties

Compound Namecopper (2S)-6-amino-2-[[(2S)-2-(2-aminoacetyl)azanidyl-3-(1,2-dihydroimidazol-3-id-4-yl)propanoyl]amino]hexanoate
PubChem CID172878384
Molecular FormulaC14H23CuN6O4-
Molecular Weight402.92 g/mol
Exact Mass402.11
IUPAC Namecopper (2S)-6-amino-2-[[(2S)-2-(2-aminoacetyl)azanidyl-3-(1,2-dihydroimidazol-3-id-4-yl)propanoyl]amino]hexanoate
SMILESNCCCC[C@H](NC(=O)[C@H](CC1=CNC[N-]1)[N-]C(=O)CN)C(=O)[O-].[Cu+2]
InChIInChI=1S/C14H25N6O4.Cu/c15-4-2-1-3-10(14(23)24)20-13(22)11(19-12(21)6-16)5-9-7-17-8-18-9;/h7,10-11,17H,1-6,8,15-16H2,(H3,19,20,21,22,23,24);/q-1;+2/p-2/t10-,11-;/m0./s1
InChIKeyPSXACKMIRDXEEH-ACMTZBLWSA-L
XLogP-2.26
TPSA178.57 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 5-2.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

dipotassium bis((2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoate)
CID 140985784
copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(5-methylimidazol-3-id-4-yl)propanoyl]amino]hexanoate
CID 10251304
copper bis((2S)-6-amino-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoate)
CID 67545899
sodium (2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 141479931
potassium (2S)-6-amino-2-(7-carboxyheptanoylamino)hexanoate
CID 118533382
bis((2S)-6-amino-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoate);manganese(2+)
CID 69104695
zinc bis((2S)-6-amino-2-(dodecanoylamino)hexanoate)
CID 157255279
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 14208660
2-[[6-amino-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 18487729
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 175984495
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-3-phenylpropanoic acid
CID 145456719

Frequently Asked Questions

What is the IUPAC name of copper (2S)-6-amino-2-[[(2S)-2-(2-aminoacetyl)azanidyl-3-(1,2-dihydroimidazol-3-id-4-yl)propanoyl]amino]hexanoate?
The IUPAC name of copper (2S)-6-amino-2-[[(2S)-2-(2-aminoacetyl)azanidyl-3-(1,2-dihydroimidazol-3-id-4-yl)propanoyl]amino]hexanoate (CID 172878384) is copper (2S)-6-amino-2-[[(2S)-2-(2-aminoacetyl)azanidyl-3-(1,2-dihydroimidazol-3-id-4-yl)propanoyl]amino]hexanoate.
What is the SMILES notation for copper (2S)-6-amino-2-[[(2S)-2-(2-aminoacetyl)azanidyl-3-(1,2-dihydroimidazol-3-id-4-yl)propanoyl]amino]hexanoate?
The canonical SMILES for copper (2S)-6-amino-2-[[(2S)-2-(2-aminoacetyl)azanidyl-3-(1,2-dihydroimidazol-3-id-4-yl)propanoyl]amino]hexanoate is NCCCC[C@H](NC(=O)[C@H](CC1=CNC[N-]1)[N-]C(=O)CN)C(=O)[O-].[Cu+2].
What is the InChIKey of copper (2S)-6-amino-2-[[(2S)-2-(2-aminoacetyl)azanidyl-3-(1,2-dihydroimidazol-3-id-4-yl)propanoyl]amino]hexanoate?
The InChIKey is PSXACKMIRDXEEH-ACMTZBLWSA-L. The full InChI is InChI=1S/C14H25N6O4.Cu/c15-4-2-1-3-10(14(23)24)20-13(22)11(19-12(21)6-16)5-9-7-17-8-18-9;/h7,10-11,17H,1-6,8,15-16H2,(H3,19,20,21,22,23,24);/q-1;+2/p-2/t10-,11-;/m0./s1.
What are the key properties of copper (2S)-6-amino-2-[[(2S)-2-(2-aminoacetyl)azanidyl-3-(1,2-dihydroimidazol-3-id-4-yl)propanoyl]amino]hexanoate?
copper (2S)-6-amino-2-[[(2S)-2-(2-aminoacetyl)azanidyl-3-(1,2-dihydroimidazol-3-id-4-yl)propanoyl]amino]hexanoate has a molecular weight of 402.92 g/mol, XLogP of -2.26, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper (2S)-6-amino-2-[[(2S)-2-(2-aminoacetyl)azanidyl-3-(1,2-dihydroimidazol-3-id-4-yl)propanoyl]amino]hexanoate is sourced from PubChem (CID 172878384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).