(Q83034304)

English

Benzamide, 3,3'-(((4R,5S,6S,7R)-tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene))bis(N-methyl-

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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620.2998703799999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₇H₄₀N₄O₅

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canonical SMILES

CNC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)NC)c3)C(Cc3ccccc3)C(O)C(O)C2Cc2ccccc2)c1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CNC(=O)C1=CC=CC(=C1)CN2[C@@H]([C@@H]([C@H]([C@H](N(C2=O)CC3=CC(=CC=C3)C(=O)NC)CC4=CC=CC=C4)O)O)CC5=CC=CC=C5

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Identifiers

InChI=1S/C37H40N4O5/c1-38-35(44)29-17-9-15-27(19-29)23-40-31(21-25-11-5-3-6-12-25)33(42)34(43)32(22-26-13-7-4-8-14-26)41(37(40)46)24-28-16-10-18-30(20-28)36(45)39-2/h3-20,31-34,42-43H,21-24H2,1-2H3,(H,38,44)(H,39,45)/t31-,32-,33+,34+/m1/s1

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LTVYROXJAPCACF-WZJLIZBTSA-N

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CAS Registry Number

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matched by identifier from

LTVYROXJAPCACF-WZJLIZBTSA-N

UniChem compound ID

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DSSTox substance ID

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matched by identifier from

LTVYROXJAPCACF-WZJLIZBTSA-N

DSSTOX compound identifier

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