(Q100154136)

English

2-[[1-[3-Chloro-5-(diaminomethylideneamino)-4-hydroxy-2-[[4-hydroxy-3-(3-prop-1-en-2-ylquinolin-4-yl)benzoyl]amino]pentanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-3-methylbut-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

quinoline alkaloid

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mass

719.283424364 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₂ClN₇O₇

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C=C(C)c1cnc2ccccc2c1-c1cc(C(=O)NC(C(=O)N2CCC(C)C2C(=O)NC(C(=O)O)=C(C)C)C(Cl)C(O)CNC(=N)N)ccc1O

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found in taxon

Helicomyces

1 reference

stated in

The novel gluconeogenesis inhibitors FR225659 and related compounds that originate from Helicomyces sp. No. 19353. I. Taxonomy, fermentation, isolation and physico-chemical properties.

Identifiers

InChI

InChI=1S/C36H42ClN7O7/c1-17(2)23-15-40-24-9-7-6-8-21(24)27(23)22-14-20(10-11-25(22)45)32(47)43-30(28(37)26(46)16-41-36(38)39)34(49)44-13-12-19(5)31(44)33(48)42-29(18(3)4)35(50)51/h6-11,14-15,19,26,28,30-31,45-46H,1,12-13,16H2,2-5H3,(H,42,48)(H,43,47)(H,50,51)(H4,38,39,41)

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InChIKey

ANYWIYLMLRVZRB-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ANYWIYLMLRVZRB-UHFFFAOYSA-N

ChEBI ID

203606

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C36H42ClN7O7/c1-17(2)23-15-40-24-9-7-6-8-21(24)27(23)22-14-20(10-11-25(22)45)32(47)43-30(28(37)26(46)16-41-36(38)39)34(49)44-13-12-19(5)31(44)33(48)42-29(18(3)4)35(50)51/h6-11,14-15,19,26,28,30-31,45-46H,1,12-13,16H2,2-5H3,(H,42,48)(H,43,47)(H,50,51)(H4,38,39,41)

1 reference

Natural Product Atlas ID

NPA006578

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ANYWIYLMLRVZRB-UHFFFAOYSA-N

(Q100154136)

2-[[1-[3-Chloro-5-(diaminomethylideneamino)-4-hydroxy-2-[[4-hydroxy-3-(3-prop-1-en-2-ylquinolin-4-yl)benzoyl]amino]pentanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-3-methylbut-2-enoic acid

Statements

Identifiers

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