FR901469 hydrochloride (Q27134414)

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chemical compound

Language	Label	Description	Also known as
English	FR901469 hydrochloride	chemical compound

Statements

type of chemical entity

0 references

chemical compound

0 references

1,568.810454±0 dalton

1 reference

language of work or name

CHEBI:65917 (English)

7 October 2016

chemical formula

C₇₁H₁₁₇ClN₁₄O₂₃

1 reference

language of work or name

CHEBI:65917 (English)

7 October 2016

canonical SMILES

CCCCCCCCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CC(CC2C(=O)NC(C(=O)NC(C(=O)N3CCC(C3C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O1)CCCN)C(C)O)C(CC(=O)N)O)O)C(C)O)C(C)O)O)C(C)C)CC4=CC=C(C=C4)O)C)C(C)O.Cl

1 reference

language of work or name

CHEBI:65917 (English)

7 October 2016

isomeric SMILES

CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N3CC[C@@H]([C@H]3C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CCCN)[C@@H](C)O)[C@@H](CC(=O)N)O)O)[C@@H](C)O)[C@@H](C)O)O)C(C)C)CC4=CC=C(C=C4)O)C)[C@@H](C)O.Cl

1 reference

language of work or name

CHEBI:65917 (English)

7 October 2016

Identifiers

InChI=1S/C71H116N14O23.ClH/c1-9-10-11-12-13-14-15-16-17-18-19-21-45-32-52(95)78-55(38(5)86)65(101)75-37(4)61(97)77-47(30-42-23-25-43(90)26-24-42)62(98)80-54(36(2)3)69(105)85-35-44(91)31-48(85)63(99)81-57(40(7)88)67(103)82-58(41(8)89)70(106)84-29-27-49(92)60(84)68(104)83-59(50(93)33-51(73)94)64(100)74-34-53(96)79-56(39(6)87)66(102)76-46(22-20-28-72)71(107)108-45;/h23-26,36-41,44-50,54-60,86-93H,9-22,27-35,72H2,1-8H3,(H2,73,94)(H,74,100)(H,75,101)(H,76,102)(H,77,97)(H,78,95)(H,79,96)(H,80,98)(H,81,99)(H,82,103)(H,83,104);1H/t37-,38-,39-,40-,41-,44-,45-,46+,47+,48+,49+,50-,54+,55-,56-,57-,58+,59+,60+;/m1./s1

1 reference

based on heuristic

inferred from SMILES

VZZJOONOWFZKHA-PVFJZINBSA-N

2 references

language of work or name

CHEBI:65917 (English)

7 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

(3R)-3-{(2R,6S,9S,12R,15R,19R,22S,25R,31S,33aS,34S,39S,42R,44aS)-22-(3-Aminopropyl)-2,34-dihydroxy-9-(4-hydroxybenzyl)-15,25,39,42-tetrakis[(1R)-1-hydroxyethyl]-6-isopropyl-12-methyl-5,8,11,14,17,21,2 (English)

7 October 2016

2 references

language of work or name

CHEBI:65917 (English)

7 October 2016

matched by identifier from

VZZJOONOWFZKHA-PVFJZINBSA-N

1 reference

matched by identifier from

VZZJOONOWFZKHA-PVFJZINBSA-N

Reaxys registry number

8756288

1 reference

language of work or name

FR901469 hydrochloride (English)

7 October 2016

mapping relation type

2 references

language of work or name

FR901469 hydrochloride (English)

7 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C71H116N14O23.ClH/c1-9-10-11-12-13-14-15-16-17-18-19-21-45-32-52(95)78-55(38(5)86)65(101)75-37(4)61(97)77-47(30-42-23-25-43(90)26-24-42)62(98)80-54(36(2)3)69(105)85-35-44(91)31-48(85)63(99)81-57(40(7)88)67(103)82-58(41(8)89)70(106)84-29-27-49(92)60(84)68(104)83-59(50(93)33-51(73)94)64(100)74-34-53(96)79-56(39(6)87)66(102)76-46(22-20-28-72)71(107)108-45;/h23-26,36-41,44-50,54-60,86-93H,9-22,27-35,72H2,1-8H3,(H2,73,94)(H,74,100)(H,75,101)(H,76,102)(H,77,97)(H,78,95)(H,79,96)(H,80,98)(H,81,99)(H,82,103)(H,83,104);1H/t37-,38-,39-,40-,41-,44-,45-,46+,47+,48+,49+,50-,54+,55-,56-,57-,58+,59+,60+;/m1./s1

1 reference

language of work or name

CHEMBL563933 (English)

7 October 2016

UniChem compound ID

1 reference

Sitelinks

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Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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