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methyl 3,5-bis[12-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2,8-dioxododecyl]benzoate;methyl 3-[6-(chloroamino)-2-oxohexyl]-5-[6-(imino-lambda3-chloranyl)-2-oxohexyl]benzoate;5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid

HCID 157684587
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
No structure available

Basic information

InChIKey
CTGVXCCFYPHDCT-UHFFFAOYSA-N
Molecular formula
C87H131Cl2N11O18S3
Average molar mass
1,786.1 g/mol

Names & identifiers

Preferred name
methyl 3,5-bis[12-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2,8-dioxododecyl]benzoate;methyl 3-[6-(chloroamino)-2-oxohexyl]-5-[6-(imino-lambda3-chloranyl)-2-oxohexyl]benzoate;5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
IUPAC
methyl 3,5-bis[12-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2,8-dioxododecyl]benzoate;methyl 3-[6-(chloroamino)-2-oxohexyl]-5-[6-(imino-λ3-chloranyl)-2-oxohexyl]benzoate;5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid

Database identifiers

PubChem CID
157684587

Properties

Computed structural propertiesFilling in

Topological polar surface area
492 Ų
Hydrogen bond donors
9
Hydrogen bond acceptors
26
Rotatable bonds
58
Heavy atoms
121
Formal charge
0
Complexity
2,750

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes