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2-[[5-[(3-carboxy-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3,3-dimethyl-5-oxopentanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid

HCID 178656715
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Basic information

CAS
312940-53-7
Standard SMILES
CC(C)(CC(=O)Nc1sc2c(c1C(=O)O)CCC2)CC(=O)Nc1sc2c(c1C(=O)O)CCC2
InChIKey
RUPLTNGQLSTCDA-UHFFFAOYSA-N
Molecular formula
C23H26N2O6S2
Average molar mass
490.6 g/mol
Monoisotopic mass
490.1232289

Names & identifiers

Preferred name
2-[[5-[(3-carboxy-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3,3-dimethyl-5-oxopentanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
IUPAC
2-[[5-[(3-carboxy-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3,3-dimethyl-5-oxopentanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
English name
2-({5-[(3-carboxy-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)amino]-3,3-dimethyl-5-oxopentanoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
Molecular formula
C23H26N2O6S2
Molecular weight
490.59234

Names & synonyms

Oprea1_808446AE-848/37236063AKOS0010292872-[[5-[(3-carboxy-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3,3-dimethyl-5-oxopentanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acidZ568001212,2'-[(3,3-dimethyl-1,5-dioxopentane-1,5-diyl)bis(azanediyl)]di(5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid)2,2'-[(3,3-dimethyl-1,5-dioxopentane-1,5-diyl)di(imino)]bis(5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid)2-({5-[(3-carboxy-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)amino]-3,3-dimethyl-5-oxopentanoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid

Database identifiers

CAS
312940-53-7
PubChem CID
1806301

Properties

Computed structural propertiesFilling in

XLogP
4.6
Topological polar surface area
189 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
33
Formal charge
0
Complexity
757

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