(Q82897661)

English

6-Amino-N-[N-(2-amino-1-hydroxyethylidene)-3-(4H-imidazol-4-yl)alanyl]-2-({2-[4-(methoxycarbonyl)[2,4'-bi-1,3-thiazol]-2'-yl]ethyl}amino)hexanimidic acid

group of stereoisomers with the chemical formula C₂₄H₃₃N₉O₅S₂

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

591.204607156 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₃N₉O₅S₂

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based on heuristic

inferred from SMILES

canonical SMILES

COC(=O)c1csc(-c2csc(CCNC(CCCCN)C(O)=NC(=O)C(CC3C=NC=N3)N=C(O)CN)n2)n1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COC(=O)c1csc(-c2csc(CCN[C@@H](CCCCN)C(=O)NC(=O)[C@H](CC3C=NC=N3)NC(=O)CN)n2)n1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C24H33N9O5S2/c1-38-24(37)18-12-40-23(32-18)17-11-39-20(31-17)5-7-28-15(4-2-3-6-25)21(35)33-22(36)16(30-19(34)9-26)8-14-10-27-13-29-14/h10-16,28H,2-9,25-26H2,1H3,(H,30,34)(H,33,35,36)/t14?,15-,16-/m0/s1

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InChIKey

PBCCBTBECZCFBN-YVZMLIKISA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID101352491

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(Q82897661)

6-Amino-N-[N-(2-amino-1-hydroxyethylidene)-3-(4H-imidazol-4-yl)alanyl]-2-({2-[4-(methoxycarbonyl)[2,4'-bi-1,3-thiazol]-2'-yl]ethyl}amino)hexanimidic acid

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Identifiers

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