(Q82893828)

English

N-[4-Carboxy-2-({3-carboxy-2-[(2,6-diamino-1-hydroxyhexylidene)amino]-1-hydroxypropylidene}amino)-1-hydroxybutylidene]leucine

chemical compound

In more languages

Statements

group of stereoisomers

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chemical compound

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503.25912776399997 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₇N₅O₉

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)CC(N=C(O)C(CCC(=O)O)N=C(O)C(CC(=O)O)N=C(O)C(N)CCCCN)C(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C21H37N5O9/c1-11(2)9-15(21(34)35)26-19(32)13(6-7-16(27)28)24-20(33)14(10-17(29)30)25-18(31)12(23)5-3-4-8-22/h11-15H,3-10,22-23H2,1-2H3,(H,24,33)(H,25,31)(H,26,32)(H,27,28)(H,29,30)(H,34,35)/t12-,13-,14?,15-/m0/s1

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JBFQOLHAGBKPTP-NZATWWQASA-N

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CAS Registry Number

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1 reference

26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID001349986

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