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(2-cyano-1,3-benzothiazol-6-yl) N-[4-(ethylamino)-4-oxobutyl]-N-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamate;2-[6-[[4-(ethylamino)-4-oxobutyl]-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;2-(imino-lambda3-chloranyl)-3-sulfanylpropanoic acid

HCID 157685396
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
No structure available

Basic information

InChIKey
CTJHMEJAGMNXFY-UHFFFAOYSA-N
Molecular formula
C70H88ClN11O16S4
Average molar mass
1,503.2 g/mol

Names & identifiers

Preferred name
(2-cyano-1,3-benzothiazol-6-yl) N-[4-(ethylamino)-4-oxobutyl]-N-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamate;2-[6-[[4-(ethylamino)-4-oxobutyl]-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;2-(imino-lambda3-chloranyl)-3-sulfanylpropanoic acid
IUPAC
(2-cyano-1,3-benzothiazol-6-yl) N-[4-(ethylamino)-4-oxobutyl]-N-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamate;2-[6-[[4-(ethylamino)-4-oxobutyl]-[2-[methyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]ethyl]carbamoyl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;2-(imino-λ3-chloranyl)-3-sulfanylpropanoic acid

Database identifiers

PubChem CID
157685396

Properties

Computed structural properties

Topological polar surface area
469 Ų
Hydrogen bond donors
6
Hydrogen bond acceptors
25
Rotatable bonds
31
Heavy atoms
102
Formal charge
0
Complexity
2,880

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes