(Q76416503)

English

(4aR,6S,7R,7aS)-4-carbamoyl-6-hydroxy-2-methyl-7-[(2-sulfamoylacetyl)amino]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyridine-7-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(7R)-4-carbamoyl-6-hydroxy-2-methyl-7-[(2-sulfamoylacetyl)amino]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyridine-7-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

6-hydroxy-7-[(1-hydroxy-2-sulfamoylethylidene)amino]-4-(C-hydroxycarbonimidoyl)-2-methyl-1H,4aH,5H,6H,7aH-cyclopenta[c]pyridine-7-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

376.10526998 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₃H₂₀N₄O₇S

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canonical SMILES

CN1C=C(C(N)=O)C2CC(O)C(NC(=O)CS(N)(=O)=O)(C(=O)O)C2C1

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isomeric SMILES

CN1C[C@@H]2[C@@H](C[C@@H]([C@]2(C(=O)O)NC(=O)CS(=O)(=O)N)O)C(=C1)C(=O)N

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found in taxon

Streptomyces sioyaensis

2 references

stated in

Altemicidin, a new acaricidal and antitumor substance. I. Taxonomy, fermentation, isolation and physico-chemical and biological properties.

stated in

Altemicidin, a new acaricidal and antitumor substance. II. Structure determination

Identifiers

InChI

InChI=1S/C13H20N4O7S/c1-17-3-7(11(14)20)6-2-9(18)13(12(21)22,8(6)4-17)16-10(19)5-25(15,23)24/h3,6,8-9,18H,2,4-5H2,1H3,(H2,14,20)(H,16,19)(H,21,22)(H2,15,23,24)/t6-,8+,9-,13+/m0/s1

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InChIKey

VZRFZUPFQKSXPV-VPFIQFBESA-N

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CAS Registry Number

125399-82-8

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

11036174

1 reference

matched by identifier from

InChIKey

VZRFZUPFQKSXPV-VPFIQFBESA-N

ChEBI ID

227005

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C13H20N4O7S/c1-17-3-7(11(14)20)6-2-9(18)13(12(21)22,8(6)4-17)16-10(19)5-25(15,23)24/h3,6,8-9,18H,2,4-5H2,1H3,(H2,14,20)(H,16,19)(H,21,22)(H2,15,23,24)/t6-,8+,9-,13+/m0/s1

SureChEMBL ID

SCHEMBL1229355

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

VZRFZUPFQKSXPV-VPFIQFBESA-N

1 reference

1 reference

matched by identifier from

InChIKey

VZRFZUPFQKSXPV-VPFIQFBESA-N

UNII

39E2X82JVD

1 reference

matched by identifier from

InChIKey

VZRFZUPFQKSXPV-VPFIQFBESA-N

Natural Product Atlas ID

NPA013044

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

VZRFZUPFQKSXPV-VPFIQFBESA-N

Probes And Drugs ID

PD151021

0 references

(Q76416503)

(4aR,6S,7R,7aS)-4-carbamoyl-6-hydroxy-2-methyl-7-[(2-sulfamoylacetyl)amino]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyridine-7-carboxylic acid

Statements

Identifiers

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