(2-azanidylcyclohexyl)azanide;1,2-dicarboxyethyl-[2-[[2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoyl]amino]acetyl]azanide;(2,5-dioxopyrrolidin-1-yl) 2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoate;hydrazine;methanamine;methane;methyl N-[5-(ethoxycarbonylamino)-6-(methylamino)-6-oxohexyl]carbamate;platinum

C53H102N15O23Pt-3 — CID 160824160

IUPAC(2-azanidylcyclohexyl)azanide;1,2-dicarboxyethyl-[2-[[2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoyl]amino]acetyl]azanide;(2,5-dioxopyrrolidin-1-yl) 2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoate;hydrazine;methanamine;methane;methyl N-[5-(ethoxycarbonylamino)-6-(methylamino)-6-oxohexyl]carbamate;platinum
SMILESC.C.CCOC(=O)NC(CCCCNC(=O)OC)C(=O)NC.CCOC(=O)NC(CCCCNC(=O)OC)C(=O)NCC(=O)[N-]C(CC(=O)O)C(=O)O.CCOC(=O)NC(CCCCNC(=O)OC)C(=O)ON1C(=O)CCC1=O.CN.NN.[NH-]C1CCCCC1[NH-].[Pt]
InChIInChI=1S/C17H28N4O10.C15H23N3O8.C12H23N3O5.C6H12N2.CH5N.2CH4.H4N2.Pt/c1-3-31-17(29)21-10(6-4-5-7-18-16(28)30-2)14(25)19-9-12(22)20-11(15(26)27)8-13(23)24;1-3-25-15(23)17-10(6-4-5-9-16-14(22)24-2)13(21)26-18-11(19)7-8-12(18)20;1-4-20-12(18)15-9(10(16)13-2)7-5-6-8-14-11(17)19-3;7-5-3-1-2-4-6(5)8;1-2;;;1-2;/h10-11H,3-9H2,1-2H3,(H6,18,19,20,21,22,23,24,25,26,27,28,29);10H,3-9H2,1-2H3,(H,16,22)(H,17,23);9H,4-8H2,1-3H3,(H,13,16)(H,14,17)(H,15,18);5-8H,1-4H2;2H2,1H3;2*1H4;1-2H2;/q;;;-2;;;;;/p-1
InChIKeyKRZBKJMPCDNDDY-UHFFFAOYSA-M
MW1512.56 g/mol
LogP2.25
Rot. Bonds31

About (2-azanidylcyclohexyl)azanide;1,2-dicarboxyethyl-[2-[[2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoyl]amino]acetyl]azanide;(2,5-dioxopyrrolidin-1-yl) 2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoate;hydrazine;methanamine;methane;methyl N-[5-(ethoxycarbonylamino)-6-(methylamino)-6-oxohexyl]carbamate;platinum

(2-azanidylcyclohexyl)azanide;1,2-dicarboxyethyl-[2-[[2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoyl]amino]acetyl]azanide;(2,5-dioxopyrrolidin-1-yl) 2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoate;hydrazine;methanamine;methane;methyl N-[5-(ethoxycarbonylamino)-6-(methylamino)-6-oxohexyl]carbamate;platinum (PubChem CID 160824160) has the molecular formula C53H102N15O23Pt-3 and a molecular weight of 1512.56 g/mol. Its IUPAC name is (2-azanidylcyclohexyl)azanide;1,2-dicarboxyethyl-[2-[[2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoyl]amino]acetyl]azanide;(2,5-dioxopyrrolidin-1-yl) 2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoate;hydrazine;methanamine;methane;methyl N-[5-(ethoxycarbonylamino)-6-(methylamino)-6-oxohexyl]carbamate;platinum.

Molecular Properties

Compound Name(2-azanidylcyclohexyl)azanide;1,2-dicarboxyethyl-[2-[[2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoyl]amino]acetyl]azanide;(2,5-dioxopyrrolidin-1-yl) 2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoate;hydrazine;methanamine;methane;methyl N-[5-(ethoxycarbonylamino)-6-(methylamino)-6-oxohexyl]carbamate;platinum
PubChem CID160824160
Molecular FormulaC53H102N15O23Pt-3
Molecular Weight1512.56 g/mol
Exact Mass1511.69
IUPAC Name(2-azanidylcyclohexyl)azanide;1,2-dicarboxyethyl-[2-[[2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoyl]amino]acetyl]azanide;(2,5-dioxopyrrolidin-1-yl) 2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoate;hydrazine;methanamine;methane;methyl N-[5-(ethoxycarbonylamino)-6-(methylamino)-6-oxohexyl]carbamate;platinum
SMILESC.C.CCOC(=O)NC(CCCCNC(=O)OC)C(=O)NC.CCOC(=O)NC(CCCCNC(=O)OC)C(=O)NCC(=O)[N-]C(CC(=O)O)C(=O)O.CCOC(=O)NC(CCCCNC(=O)OC)C(=O)ON1C(=O)CCC1=O.CN.NN.[NH-]C1CCCCC1[NH-].[Pt]
InChIInChI=1S/C17H28N4O10.C15H23N3O8.C12H23N3O5.C6H12N2.CH5N.2CH4.H4N2.Pt/c1-3-31-17(29)21-10(6-4-5-7-18-16(28)30-2)14(25)19-9-12(22)20-11(15(26)27)8-13(23)24;1-3-25-15(23)17-10(6-4-5-9-16-14(22)24-2)13(21)26-18-11(19)7-8-12(18)20;1-4-20-12(18)15-9(10(16)13-2)7-5-6-8-14-11(17)19-3;7-5-3-1-2-4-6(5)8;1-2;;;1-2;/h10-11H,3-9H2,1-2H3,(H6,18,19,20,21,22,23,24,25,26,27,28,29);10H,3-9H2,1-2H3,(H,16,22)(H,17,23);9H,4-8H2,1-3H3,(H,13,16)(H,14,17)(H,15,18);5-8H,1-4H2;2H2,1H3;2*1H4;1-2H2;/q;;;-2;;;;;/p-1
InChIKeyKRZBKJMPCDNDDY-UHFFFAOYSA-M
XLogP2.25
TPSA583.29 Ų
H-Bond Donors13
H-Bond Acceptors24
Rotatable Bonds31
Heavy Atoms92
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001512.56
LogP ≤ 52.25
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-azanidylcyclohexyl)azanide;1,2-dicarboxyethyl-[2-[[2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoyl]amino]acetyl]azanide;(2,5-dioxopyrrolidin-1-yl) 2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoate;hydrazine;methanamine;methane;methyl N-[5-(ethoxycarbonylamino)-6-(methylamino)-6-oxohexyl]carbamate;platinum?
The IUPAC name of (2-azanidylcyclohexyl)azanide;1,2-dicarboxyethyl-[2-[[2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoyl]amino]acetyl]azanide;(2,5-dioxopyrrolidin-1-yl) 2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoate;hydrazine;methanamine;methane;methyl N-[5-(ethoxycarbonylamino)-6-(methylamino)-6-oxohexyl]carbamate;platinum (CID 160824160) is (2-azanidylcyclohexyl)azanide;1,2-dicarboxyethyl-[2-[[2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoyl]amino]acetyl]azanide;(2,5-dioxopyrrolidin-1-yl) 2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoate;hydrazine;methanamine;methane;methyl N-[5-(ethoxycarbonylamino)-6-(methylamino)-6-oxohexyl]carbamate;platinum.
What is the SMILES notation for (2-azanidylcyclohexyl)azanide;1,2-dicarboxyethyl-[2-[[2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoyl]amino]acetyl]azanide;(2,5-dioxopyrrolidin-1-yl) 2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoate;hydrazine;methanamine;methane;methyl N-[5-(ethoxycarbonylamino)-6-(methylamino)-6-oxohexyl]carbamate;platinum?
The canonical SMILES for (2-azanidylcyclohexyl)azanide;1,2-dicarboxyethyl-[2-[[2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoyl]amino]acetyl]azanide;(2,5-dioxopyrrolidin-1-yl) 2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoate;hydrazine;methanamine;methane;methyl N-[5-(ethoxycarbonylamino)-6-(methylamino)-6-oxohexyl]carbamate;platinum is C.C.CCOC(=O)NC(CCCCNC(=O)OC)C(=O)NC.CCOC(=O)NC(CCCCNC(=O)OC)C(=O)NCC(=O)[N-]C(CC(=O)O)C(=O)O.CCOC(=O)NC(CCCCNC(=O)OC)C(=O)ON1C(=O)CCC1=O.CN.NN.[NH-]C1CCCCC1[NH-].[Pt].
What is the InChIKey of (2-azanidylcyclohexyl)azanide;1,2-dicarboxyethyl-[2-[[2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoyl]amino]acetyl]azanide;(2,5-dioxopyrrolidin-1-yl) 2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoate;hydrazine;methanamine;methane;methyl N-[5-(ethoxycarbonylamino)-6-(methylamino)-6-oxohexyl]carbamate;platinum?
The InChIKey is KRZBKJMPCDNDDY-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H28N4O10.C15H23N3O8.C12H23N3O5.C6H12N2.CH5N.2CH4.H4N2.Pt/c1-3-31-17(29)21-10(6-4-5-7-18-16(28)30-2)14(25)19-9-12(22)20-11(15(26)27)8-13(23)24;1-3-25-15(23)17-10(6-4-5-9-16-14(22)24-2)13(21)26-18-11(19)7-8-12(18)20;1-4-20-12(18)15-9(10(16)13-2)7-5-6-8-14-11(17)19-3;7-5-3-1-2-4-6(5)8;1-2;;;1-2;/h10-11H,3-9H2,1-2H3,(H6,18,19,20,21,22,23,24,25,26,27,28,29);10H,3-9H2,1-2H3,(H,16,22)(H,17,23);9H,4-8H2,1-3H3,(H,13,16)(H,14,17)(H,15,18);5-8H,1-4H2;2H2,1H3;2*1H4;1-2H2;/q;;;-2;;;;;/p-1.
What are the key properties of (2-azanidylcyclohexyl)azanide;1,2-dicarboxyethyl-[2-[[2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoyl]amino]acetyl]azanide;(2,5-dioxopyrrolidin-1-yl) 2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoate;hydrazine;methanamine;methane;methyl N-[5-(ethoxycarbonylamino)-6-(methylamino)-6-oxohexyl]carbamate;platinum?
(2-azanidylcyclohexyl)azanide;1,2-dicarboxyethyl-[2-[[2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoyl]amino]acetyl]azanide;(2,5-dioxopyrrolidin-1-yl) 2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoate;hydrazine;methanamine;methane;methyl N-[5-(ethoxycarbonylamino)-6-(methylamino)-6-oxohexyl]carbamate;platinum has a molecular weight of 1512.56 g/mol, XLogP of 2.25, 31 rotatable bonds, 13 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azanidylcyclohexyl)azanide;1,2-dicarboxyethyl-[2-[[2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoyl]amino]acetyl]azanide;(2,5-dioxopyrrolidin-1-yl) 2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoate;hydrazine;methanamine;methane;methyl N-[5-(ethoxycarbonylamino)-6-(methylamino)-6-oxohexyl]carbamate;platinum is sourced from PubChem (CID 160824160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).