(Q82894842)

English

N-{2-[(2,6-Diamino-1-hydroxyhexylidene)amino]-1,3-dihydroxypropylidene}glutamic acid

chemical compound

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Statements

type of chemical entity

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chemical compound

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362.1801491719999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₄H₂₆N₄O₇

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canonical SMILES

NCCCCC(N)C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C(CCN)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N

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Identifiers

InChI=1S/C14H26N4O7/c15-6-2-1-3-8(16)12(22)18-10(7-19)13(23)17-9(14(24)25)4-5-11(20)21/h8-10,19H,1-7,15-16H2,(H,17,23)(H,18,22)(H,20,21)(H,24,25)/t8-,9-,10-/m0/s1

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JMNRXRPBHFGXQX-GUBZILKMSA-N

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CAS Registry Number

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1 reference

matched by identifier from

JMNRXRPBHFGXQX-GUBZILKMSA-N

mapping relation type

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ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI=1S/C14H26N4O7/c15-6-2-1-3-8(16)12(22)18-10(7-19)13(23)17-9(14(24)25)4-5-11(20)21/h8-10,19H,1-7,15-16H2,(H,17,23)(H,18,22)(H,20,21)(H,24,25)/t8-,9-,10-/m0/s1

UniChem compound ID

1 reference

DSSTox substance ID

1 reference

matched by identifier from

JMNRXRPBHFGXQX-GUBZILKMSA-N

DSSTOX compound identifier

DTXCID401350670

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