(Q110168336)

English

(E)-3-[(6R,6As)-6-hydroxy-4-methoxy-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-N,N-dimethylprop-2-enamide

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(2E)-3-[(8R)-8-hydroxy-11-methoxy-2-oxo-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(10),4,11,13-tetraen-5-yl]-N,N-dimethylprop-2-enamide

1 reference

based on heuristic

inferred from SMILES

mass

343.153206152 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₁N₃O₄

0 references

canonical SMILES

O=C(C=CC1=CN2C(=O)C=3C=CC=C(OC)C3NC(O)C2C1)N(C)C

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isomeric SMILES

COc1cccc2c1N[C@H](O)[C@@H]1CC(/C=C/C(=O)N(C)C)=CN1C2=O

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found in taxon

Streptomyces albus

1 reference

stated in

Porothramycin, a new antibiotic of the anthramycin group: production, isolation, structure and biological activity

Identifiers

InChI

InChI=1S/C18H21N3O4/c1-20(2)15(22)8-7-11-9-13-17(23)19-16-12(18(24)21(13)10-11)5-4-6-14(16)25-3/h4-8,10,13,17,19,23H,9H2,1-3H3/b8-7+/t13-,17+/m0/s1

0 references

InChIKey

OQMYRVPMCIOFHL-UDBCLFQLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OQMYRVPMCIOFHL-UDBCLFQLSA-N

ChEBI ID

204009

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C18H21N3O4/c1-20(2)15(22)8-7-11-9-13-17(23)19-16-12(18(24)21(13)10-11)5-4-6-14(16)25-3/h4-8,10,13,17,19,23H,9H2,1-3H3/b8-7+/t13-,17+/m0/s1

1 reference

Natural Product Atlas ID

NPA007051

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

OQMYRVPMCIOFHL-UDBCLFQLSA-N

(Q110168336)

(E)-3-[(6R,6As)-6-hydroxy-4-methoxy-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-N,N-dimethylprop-2-enamide

Statements

Identifiers

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