(Q82909991)

English

4-Amino-5-({1-[(carboxymethyl)imino]-3-[(chloromethyl)sulfanyl]-1-hydroxypropan-2-yl}imino)-5-hydroxypentanoic acid

chemical compound

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Statements

type of chemical entity

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chemical compound

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355.060483976 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₁H₁₈ClN₃O₆S

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canonical SMILES

NC(CCC(=O)O)C(=O)NC(CSCCl)C(=O)NCC(=O)O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C(CC(=O)O)[C@@H](C(=O)N[C@@H](CSCCl)C(=O)NCC(=O)O)N

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Identifiers

InChI=1S/C11H18ClN3O6S/c12-5-22-4-7(11(21)14-3-9(18)19)15-10(20)6(13)1-2-8(16)17/h6-7H,1-5,13H2,(H,14,21)(H,15,20)(H,16,17)(H,18,19)/t6-,7-/m0/s1

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KLNCYXOZAXNSKO-BQBZGAKWSA-N

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CAS Registry Number

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1 reference

matched by identifier from

KLNCYXOZAXNSKO-BQBZGAKWSA-N

UniChem compound ID

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DSSTox substance ID

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matched by identifier from

KLNCYXOZAXNSKO-BQBZGAKWSA-N

DSSTOX compound identifier

DTXCID801362786

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