carbanide;2-[2-[2-[carboxylatomethyl-(2-methylazanidyl-2-oxoethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(2-methylazanidyl-2-oxoethyl)amino]acetate;gadolinium;(2-methanidylcyclohexyl)azanide;platinum

C24H41GdN6O8Pt-7 — CID 58275115

IUPACcarbanide;2-[2-[2-[carboxylatomethyl-(2-methylazanidyl-2-oxoethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(2-methylazanidyl-2-oxoethyl)amino]acetate;gadolinium;(2-methanidylcyclohexyl)azanide;platinum
SMILESC[N-]C(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)[N-]C)CC(=O)O)CC(=O)[O-].[CH2-]C1CCCCC1[NH-].[CH3-].[Gd].[Pt]
InChIInChI=1S/C16H29N5O8.C7H13N.CH3.Gd.Pt/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;1-6-4-2-3-5-7(6)8;;;/h3-11H2,1-2H3,(H5,17,18,22,23,24,25,26,27,28,29);6-8H,1-5H2;1H3;;/q;-2;-1;;/p-4
InChIKeyIVJJBUSCOXZKDX-UHFFFAOYSA-J
MW893.95 g/mol
LogP-1.58
Rot. Bonds16

About carbanide;2-[2-[2-[carboxylatomethyl-(2-methylazanidyl-2-oxoethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(2-methylazanidyl-2-oxoethyl)amino]acetate;gadolinium;(2-methanidylcyclohexyl)azanide;platinum

carbanide;2-[2-[2-[carboxylatomethyl-(2-methylazanidyl-2-oxoethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(2-methylazanidyl-2-oxoethyl)amino]acetate;gadolinium;(2-methanidylcyclohexyl)azanide;platinum (PubChem CID 58275115) has the molecular formula C24H41GdN6O8Pt-7 and a molecular weight of 893.95 g/mol. Its IUPAC name is carbanide;2-[2-[2-[carboxylatomethyl-(2-methylazanidyl-2-oxoethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(2-methylazanidyl-2-oxoethyl)amino]acetate;gadolinium;(2-methanidylcyclohexyl)azanide;platinum.

Molecular Properties

Compound Namecarbanide;2-[2-[2-[carboxylatomethyl-(2-methylazanidyl-2-oxoethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(2-methylazanidyl-2-oxoethyl)amino]acetate;gadolinium;(2-methanidylcyclohexyl)azanide;platinum
PubChem CID58275115
Molecular FormulaC24H41GdN6O8Pt-7
Molecular Weight893.95 g/mol
Exact Mass894.19
IUPAC Namecarbanide;2-[2-[2-[carboxylatomethyl-(2-methylazanidyl-2-oxoethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(2-methylazanidyl-2-oxoethyl)amino]acetate;gadolinium;(2-methanidylcyclohexyl)azanide;platinum
SMILESC[N-]C(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)[N-]C)CC(=O)O)CC(=O)[O-].[CH2-]C1CCCCC1[NH-].[CH3-].[Gd].[Pt]
InChIInChI=1S/C16H29N5O8.C7H13N.CH3.Gd.Pt/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;1-6-4-2-3-5-7(6)8;;;/h3-11H2,1-2H3,(H5,17,18,22,23,24,25,26,27,28,29);6-8H,1-5H2;1H3;;/q;-2;-1;;/p-4
InChIKeyIVJJBUSCOXZKDX-UHFFFAOYSA-J
XLogP-1.58
TPSA213.42 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500893.95
LogP ≤ 5-1.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;carbanide;gadolinium(3+);(2-methanidylcyclohexyl)azanide;platinum
CID 58275100
diazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;copper(1+)
CID 21118124
trisodium;2-[bis[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate;methane
CID 172874974
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;tin(2+)
CID 101283521
cadmium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate
CID 118985497
dipotassium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 173100294
disodium;azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 173365071
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(2+)
CID 138400041
disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;heptahydrate
CID 173335259
tricalcium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride
CID 173013675
trisodium;2-[bis(carboxylatomethyl)amino]acetate;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 175837109
azanium;strontium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate
CID 139894770

Frequently Asked Questions

What is the IUPAC name of carbanide;2-[2-[2-[carboxylatomethyl-(2-methylazanidyl-2-oxoethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(2-methylazanidyl-2-oxoethyl)amino]acetate;gadolinium;(2-methanidylcyclohexyl)azanide;platinum?
The IUPAC name of carbanide;2-[2-[2-[carboxylatomethyl-(2-methylazanidyl-2-oxoethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(2-methylazanidyl-2-oxoethyl)amino]acetate;gadolinium;(2-methanidylcyclohexyl)azanide;platinum (CID 58275115) is carbanide;2-[2-[2-[carboxylatomethyl-(2-methylazanidyl-2-oxoethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(2-methylazanidyl-2-oxoethyl)amino]acetate;gadolinium;(2-methanidylcyclohexyl)azanide;platinum.
What is the SMILES notation for carbanide;2-[2-[2-[carboxylatomethyl-(2-methylazanidyl-2-oxoethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(2-methylazanidyl-2-oxoethyl)amino]acetate;gadolinium;(2-methanidylcyclohexyl)azanide;platinum?
The canonical SMILES for carbanide;2-[2-[2-[carboxylatomethyl-(2-methylazanidyl-2-oxoethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(2-methylazanidyl-2-oxoethyl)amino]acetate;gadolinium;(2-methanidylcyclohexyl)azanide;platinum is C[N-]C(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)[N-]C)CC(=O)O)CC(=O)[O-].[CH2-]C1CCCCC1[NH-].[CH3-].[Gd].[Pt].
What is the InChIKey of carbanide;2-[2-[2-[carboxylatomethyl-(2-methylazanidyl-2-oxoethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(2-methylazanidyl-2-oxoethyl)amino]acetate;gadolinium;(2-methanidylcyclohexyl)azanide;platinum?
The InChIKey is IVJJBUSCOXZKDX-UHFFFAOYSA-J. The full InChI is InChI=1S/C16H29N5O8.C7H13N.CH3.Gd.Pt/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;1-6-4-2-3-5-7(6)8;;;/h3-11H2,1-2H3,(H5,17,18,22,23,24,25,26,27,28,29);6-8H,1-5H2;1H3;;/q;-2;-1;;/p-4.
What are the key properties of carbanide;2-[2-[2-[carboxylatomethyl-(2-methylazanidyl-2-oxoethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(2-methylazanidyl-2-oxoethyl)amino]acetate;gadolinium;(2-methanidylcyclohexyl)azanide;platinum?
carbanide;2-[2-[2-[carboxylatomethyl-(2-methylazanidyl-2-oxoethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(2-methylazanidyl-2-oxoethyl)amino]acetate;gadolinium;(2-methanidylcyclohexyl)azanide;platinum has a molecular weight of 893.95 g/mol, XLogP of -1.58, 16 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-[2-[2-[carboxylatomethyl-(2-methylazanidyl-2-oxoethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(2-methylazanidyl-2-oxoethyl)amino]acetate;gadolinium;(2-methanidylcyclohexyl)azanide;platinum is sourced from PubChem (CID 58275115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).