(Q76415639)

English

(4S,6S,7R,8S)-11-amino-8-(hydroxymethyl)-7-methoxy-12-methyl-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-diene-10,13-dione

chemical compound

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Statements

type of chemical entity

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chemical compound

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291.12190602400005 dalton

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based on heuristic

inferred from isomeric SMILES

stereoisomer of

6-Amino-8-(hydroxymethyl)-8a-methoxy-5-methyl-1,1a,2,8,8a,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione

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based on heuristic

inferred from InChI

chemical formula

C₁₄H₁₇N₃O₄

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canonical SMILES

COC12C(CO)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2CO)OC)N4)N

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Identifiers

InChI=1S/C14H17N3O4/c1-5-9(15)12(20)8-6(4-18)14(21-2)13-7(16-13)3-17(14)10(8)11(5)19/h6-7,13,16,18H,3-4,15H2,1-2H3/t6-,7+,13+,14-/m1/s1

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OUADMZZEIRSDSG-NKFUZKMXSA-N

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CAS Registry Number

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CAS (formerly Chemical Abstracts Service)

25 January 2022

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UniChem compound ID

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