disodium;1-[3-[[4-[5-(azanidylidenemethylideneamino)-2-nitrophenyl]-4-oxobutyl]disulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[7-(4-azido-2-nitrophenyl)heptanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[(5-azido-2-nitrophenyl)methoxy]pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 7-(4-azido-2-nitrophenyl)heptanoate

C63H62N19Na2O30S4- — CID 163914791

IUPACdisodium;1-[3-[[4-[5-(azanidylidenemethylideneamino)-2-nitrophenyl]-4-oxobutyl]disulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[7-(4-azido-2-nitrophenyl)heptanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[(5-azido-2-nitrophenyl)methoxy]pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 7-(4-azido-2-nitrophenyl)heptanoate
SMILES[N-]=C=Nc1ccc([N+](=O)[O-])c(C(=O)CCCSSCCC(=O)ON2C(=O)CC(S(=O)(=O)[O-])C2=O)c1.[N-]=[N+]=Nc1ccc(CCCCCCC(=O)ON2C(=O)CC(S(=O)(=O)[O-])C2=O)c([N+](=O)[O-])c1.[N-]=[N+]=Nc1ccc(CCCCCCC(=O)ON2C(=O)CCC2=O)c([N+](=O)[O-])c1.[N-]=[N+]=Nc1ccc([N+](=O)[O-])c(CON2C(=O)CCC2=O)c1.[Na+].[Na+]
InChIInChI=1S/C18H17N4O10S3.C17H19N5O9S.C17H19N5O6.C11H9N5O5.2Na/c19-10-20-11-3-4-13(22(27)28)12(8-11)14(23)2-1-6-33-34-7-5-17(25)32-21-16(24)9-15(18(21)26)35(29,30)31;18-20-19-12-8-7-11(13(9-12)22(26)27)5-3-1-2-4-6-16(24)31-21-15(23)10-14(17(21)25)32(28,29)30;18-20-19-13-8-7-12(14(11-13)22(26)27)5-3-1-2-4-6-17(25)28-21-15(23)9-10-16(21)24;12-14-13-8-1-2-9(16(19)20)7(5-8)6-21-15-10(17)3-4-11(15)18;;/h3-4,8,15H,1-2,5-7,9H2,(H,29,30,31);7-9,14H,1-6,10H2,(H,28,29,30);7-8,11H,1-6,9-10H2;1-2,5H,3-4,6H2;;/q-1;;;;2*+1/p-2
InChIKeyLXXGLYGRDUVOKS-UHFFFAOYSA-L
MW1739.54 g/mol
LogP3.76
Rot. Bonds39

About disodium;1-[3-[[4-[5-(azanidylidenemethylideneamino)-2-nitrophenyl]-4-oxobutyl]disulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[7-(4-azido-2-nitrophenyl)heptanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[(5-azido-2-nitrophenyl)methoxy]pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 7-(4-azido-2-nitrophenyl)heptanoate

disodium;1-[3-[[4-[5-(azanidylidenemethylideneamino)-2-nitrophenyl]-4-oxobutyl]disulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[7-(4-azido-2-nitrophenyl)heptanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[(5-azido-2-nitrophenyl)methoxy]pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 7-(4-azido-2-nitrophenyl)heptanoate (PubChem CID 163914791) has the molecular formula C63H62N19Na2O30S4- and a molecular weight of 1739.54 g/mol. Its IUPAC name is disodium;1-[3-[[4-[5-(azanidylidenemethylideneamino)-2-nitrophenyl]-4-oxobutyl]disulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[7-(4-azido-2-nitrophenyl)heptanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[(5-azido-2-nitrophenyl)methoxy]pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 7-(4-azido-2-nitrophenyl)heptanoate.

Molecular Properties

Compound Namedisodium;1-[3-[[4-[5-(azanidylidenemethylideneamino)-2-nitrophenyl]-4-oxobutyl]disulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[7-(4-azido-2-nitrophenyl)heptanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[(5-azido-2-nitrophenyl)methoxy]pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 7-(4-azido-2-nitrophenyl)heptanoate
PubChem CID163914791
Molecular FormulaC63H62N19Na2O30S4-
Molecular Weight1739.54 g/mol
Exact Mass1738.26
IUPAC Namedisodium;1-[3-[[4-[5-(azanidylidenemethylideneamino)-2-nitrophenyl]-4-oxobutyl]disulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[7-(4-azido-2-nitrophenyl)heptanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[(5-azido-2-nitrophenyl)methoxy]pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 7-(4-azido-2-nitrophenyl)heptanoate
SMILES[N-]=C=Nc1ccc([N+](=O)[O-])c(C(=O)CCCSSCCC(=O)ON2C(=O)CC(S(=O)(=O)[O-])C2=O)c1.[N-]=[N+]=Nc1ccc(CCCCCCC(=O)ON2C(=O)CC(S(=O)(=O)[O-])C2=O)c([N+](=O)[O-])c1.[N-]=[N+]=Nc1ccc(CCCCCCC(=O)ON2C(=O)CCC2=O)c([N+](=O)[O-])c1.[N-]=[N+]=Nc1ccc([N+](=O)[O-])c(CON2C(=O)CCC2=O)c1.[Na+].[Na+]
InChIInChI=1S/C18H17N4O10S3.C17H19N5O9S.C17H19N5O6.C11H9N5O5.2Na/c19-10-20-11-3-4-13(22(27)28)12(8-11)14(23)2-1-6-33-34-7-5-17(25)32-21-16(24)9-15(18(21)26)35(29,30)31;18-20-19-12-8-7-11(13(9-12)22(26)27)5-3-1-2-4-6-16(24)31-21-15(23)10-14(17(21)25)32(28,29)30;18-20-19-13-8-7-12(14(11-13)22(26)27)5-3-1-2-4-6-17(25)28-21-15(23)9-10-16(21)24;12-14-13-8-1-2-9(16(19)20)7(5-8)6-21-15-10(17)3-4-11(15)18;;/h3-4,8,15H,1-2,5-7,9H2,(H,29,30,31);7-9,14H,1-6,10H2,(H,28,29,30);7-8,11H,1-6,9-10H2;1-2,5H,3-4,6H2;;/q-1;;;;2*+1/p-2
InChIKeyLXXGLYGRDUVOKS-UHFFFAOYSA-L
XLogP3.76
TPSA722.62 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds39
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001739.54
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze disodium;1-[3-[[4-[5-(azanidylidenemethylideneamino)-2-nitrophenyl]-4-oxobutyl]disulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[7-(4-azido-2-nitrophenyl)heptanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[(5-azido-2-nitrophenyl)methoxy]pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 7-(4-azido-2-nitrophenyl)heptanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of disodium;1-[3-[[4-[5-(azanidylidenemethylideneamino)-2-nitrophenyl]-4-oxobutyl]disulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[7-(4-azido-2-nitrophenyl)heptanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[(5-azido-2-nitrophenyl)methoxy]pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 7-(4-azido-2-nitrophenyl)heptanoate?
The IUPAC name of disodium;1-[3-[[4-[5-(azanidylidenemethylideneamino)-2-nitrophenyl]-4-oxobutyl]disulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[7-(4-azido-2-nitrophenyl)heptanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[(5-azido-2-nitrophenyl)methoxy]pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 7-(4-azido-2-nitrophenyl)heptanoate (CID 163914791) is disodium;1-[3-[[4-[5-(azanidylidenemethylideneamino)-2-nitrophenyl]-4-oxobutyl]disulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[7-(4-azido-2-nitrophenyl)heptanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[(5-azido-2-nitrophenyl)methoxy]pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 7-(4-azido-2-nitrophenyl)heptanoate.
What is the SMILES notation for disodium;1-[3-[[4-[5-(azanidylidenemethylideneamino)-2-nitrophenyl]-4-oxobutyl]disulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[7-(4-azido-2-nitrophenyl)heptanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[(5-azido-2-nitrophenyl)methoxy]pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 7-(4-azido-2-nitrophenyl)heptanoate?
The canonical SMILES for disodium;1-[3-[[4-[5-(azanidylidenemethylideneamino)-2-nitrophenyl]-4-oxobutyl]disulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[7-(4-azido-2-nitrophenyl)heptanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[(5-azido-2-nitrophenyl)methoxy]pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 7-(4-azido-2-nitrophenyl)heptanoate is [N-]=C=Nc1ccc([N+](=O)[O-])c(C(=O)CCCSSCCC(=O)ON2C(=O)CC(S(=O)(=O)[O-])C2=O)c1.[N-]=[N+]=Nc1ccc(CCCCCCC(=O)ON2C(=O)CC(S(=O)(=O)[O-])C2=O)c([N+](=O)[O-])c1.[N-]=[N+]=Nc1ccc(CCCCCCC(=O)ON2C(=O)CCC2=O)c([N+](=O)[O-])c1.[N-]=[N+]=Nc1ccc([N+](=O)[O-])c(CON2C(=O)CCC2=O)c1.[Na+].[Na+].
What is the InChIKey of disodium;1-[3-[[4-[5-(azanidylidenemethylideneamino)-2-nitrophenyl]-4-oxobutyl]disulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[7-(4-azido-2-nitrophenyl)heptanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[(5-azido-2-nitrophenyl)methoxy]pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 7-(4-azido-2-nitrophenyl)heptanoate?
The InChIKey is LXXGLYGRDUVOKS-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H17N4O10S3.C17H19N5O9S.C17H19N5O6.C11H9N5O5.2Na/c19-10-20-11-3-4-13(22(27)28)12(8-11)14(23)2-1-6-33-34-7-5-17(25)32-21-16(24)9-15(18(21)26)35(29,30)31;18-20-19-12-8-7-11(13(9-12)22(26)27)5-3-1-2-4-6-16(24)31-21-15(23)10-14(17(21)25)32(28,29)30;18-20-19-13-8-7-12(14(11-13)22(26)27)5-3-1-2-4-6-17(25)28-21-15(23)9-10-16(21)24;12-14-13-8-1-2-9(16(19)20)7(5-8)6-21-15-10(17)3-4-11(15)18;;/h3-4,8,15H,1-2,5-7,9H2,(H,29,30,31);7-9,14H,1-6,10H2,(H,28,29,30);7-8,11H,1-6,9-10H2;1-2,5H,3-4,6H2;;/q-1;;;;2*+1/p-2.
What are the key properties of disodium;1-[3-[[4-[5-(azanidylidenemethylideneamino)-2-nitrophenyl]-4-oxobutyl]disulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[7-(4-azido-2-nitrophenyl)heptanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[(5-azido-2-nitrophenyl)methoxy]pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 7-(4-azido-2-nitrophenyl)heptanoate?
disodium;1-[3-[[4-[5-(azanidylidenemethylideneamino)-2-nitrophenyl]-4-oxobutyl]disulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[7-(4-azido-2-nitrophenyl)heptanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[(5-azido-2-nitrophenyl)methoxy]pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 7-(4-azido-2-nitrophenyl)heptanoate has a molecular weight of 1739.54 g/mol, XLogP of 3.76, 39 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;1-[3-[[4-[5-(azanidylidenemethylideneamino)-2-nitrophenyl]-4-oxobutyl]disulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[7-(4-azido-2-nitrophenyl)heptanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;1-[(5-azido-2-nitrophenyl)methoxy]pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 7-(4-azido-2-nitrophenyl)heptanoate is sourced from PubChem (CID 163914791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).