ವಿಷಯಕ್ಕೆ ಹೋಗು

lecirelin

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chemical compound

External resources

InChI
InChI=1S/C59H84N16O12/c1-7-63-55(85)46-15-11-23-75(46)57(87)40(14-10-22-64-58(60)61)68-50(80)41(24-32(2)3)72-56(86)48(59(4,5)6)74-53(83)42(25-33-16-18-36(77)19-17-33)69-54(84)45(30-76)73-51(81)43(26-34-28-65-38-13-9-8-12-37(34)38)70-52(82)44(27-35-29-62-31-66-35)71-49(79)39-20-21-47(78)67-39/h8-9,12-13,16-19,28-29,31-32,39-46,48,65,76-77H,7,10-11,14-15,20-27,30H2,1-6H3,(H,62,66)(H,63,85)(H,67,78)(H,68,80)(H,69,84)(H,70,82)(H,71,79)(H,72,86)(H,73,81)(H,74,83)(H4,60,61,64)/t39-,40-,41-,42-,43-,44-,45-,46-,48-/m0/s1
PubChem CID
66577115[೧][೨]
Google Knowledge Graph ID
/g/11gjy6xpbq
UniChem compound ID
43732024[೩]
ECHA Substance Infocard ID
100.224.787[೪]
EC number
695-939-1[೪]
CAS Registry Number
61012-19-9
DSSTox substance ID
DTXSID00735365[೨]
DSSTOX compound identifier
DTXCID80686109
InChIKey
XJWIEWPGHRSZJM-MGZASHDBSA-N
Probes And Drugs ID
PD161438
UNII
ZD8NZ8J5LN[೨]

ಉದಾಹರಣೆಗೆ

type of chemical entity

ಉಪವರ್ಗ

tryptamine alkaloid[೫]

chemical structure

mass

೧,೨೦೮.೬೪೫೪೬೨೧೨೮ dalton[೫]

chemical formula

C₅₉H₈₄N₁₆O₁₂

canonical SMILES

CCN=C(O)C1CCCN1C(=O)C(CCCNC(=N)N)N=C(O)C(CC(C)C)N=C(O)C(N=C(O)C(Cc1ccc(O)cc1)N=C(O)C(CO)N=C(O)C(Cc1c[nH]c2ccccc12)N=C(O)C(Cc1cnc[nH]1)N=C(O)C1CCC(O)=N1)C(C)(C)C[೬]

isomeric SMILES

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(C)(C)C[೭]

Reference

  1. ↑ PubChem, ೨೬ ಡಿಸೆಂಬರ್ 2021, InChIKey
  2. ↑ ೨.೦ ೨.೧ ೨.೨ XJWIEWPGHRSZJM-MGZASHDBSA-N, InChIKey
  3. ↑ UniChem
  4. ↑ ೪.೦ ೪.೧ ECHA Substance Infocard database, ೨೯ ಡಿಸೆಂಬರ್ 2019, 100.224.787, [No public or meaningful name is available], CAS no.: 61012-19-9
  5. ↑ ೫.೦ ೫.೧ inferred from SMILES
  6. ↑ inferred from isomeric SMILES
  7. ↑ inferred from InChI
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