capreomycin Ia (Q27259353)

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chemical compound

Language	Label	Description	Also known as
English	capreomycin Ia	chemical compound

Statements

type of chemical entity

0 references

chemical compound

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668.347±0 dalton

1 reference

language of work or name

CAPREOMYCIN IA (English)

14 October 2016

stereoisomer of

(3R)-3,6-diamino-N-[[(2S,5S,8Z,11S,15S)-15-amino-11-[(6R)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-8-[(carbamoylamino)methylidene]-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₄₄N₁₄O₈

1 reference

language of work or name

CAPREOMYCIN IA (English)

14 October 2016

canonical SMILES

C1CN=C(NC1C2C(=O)NCC(C(=O)NC(C(=O)NC(C(=O)NC(=CNC(=O)N)C(=O)N2)CNC(=O)CC(CCCN)N)CO)N)N

1 reference

language of work or name

CAPREOMYCIN IA (English)

14 October 2016

isomeric SMILES

C1CN=C(N[C@H]1[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N2)CNC(=O)C[C@H](CCCN)N)CO)N)N

1 reference

language of work or name

CAPREOMYCIN IA (English)

14 October 2016

Identifiers

InChI=1S/C25H44N14O8/c26-4-1-2-11(27)6-17(41)32-8-14-20(43)35-15(9-34-25(30)47)21(44)39-18(13-3-5-31-24(29)38-13)23(46)33-7-12(28)19(42)37-16(10-40)22(45)36-14/h9,11-14,16,18,40H,1-8,10,26-28H2,(H,32,41)(H,33,46)(H,35,43)(H,36,45)(H,37,42)(H,39,44)(H3,29,31,38)(H3,30,34,47)/b15-9-/t11-,12-,13+,14-,16-,18-/m0/s1

1 reference

language of work or name

CAPREOMYCIN IA (English)

14 October 2016

JNIIDKODPGHQSS-MPSMQSNBSA-N

1 reference

language of work or name

CAPREOMYCIN IA (English)

14 October 2016

CAS Registry Number

reason for deprecated rank

cannot be confirmed by other sources

0 references

1 reference

language of work or name

(3S)-3,6-Diamino-N-{[(2S,5S,8Z,11S,15S)-15-amino-11-[(4R)-2-amino-3,4,5,6-tetrahydro-4-pyrimidinyl]-8-[(carbamoylamino)methylene]-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexade (English)

14 October 2016

1 reference

language of work or name

CAPREOMYCIN IA (English)

14 October 2016

UniChem compound ID

1 reference

DSSTox substance ID

1 reference

matched by identifier from

JNIIDKODPGHQSS-MPSMQSNBSA-N

DSSTOX compound identifier

DTXCID501030479

0 references

2 references

Global Substance Registration System

language of work or name

capreomycin ia (English)

14 October 2016

matched by identifier from

JNIIDKODPGHQSS-MPSMQSNBSA-N

Sitelinks

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