lecirelin

instancë e

type of chemical entity

nënklasë e

tryptamine alkaloid^[5]

strukturë kimike

masa

1.208,645462128 dalton^[5]

formula kimike

C₅₉H₈₄N₁₆O₁₂

kanonikja 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^[6]

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^[7]

Reference

1. ^ PubChem, 26 dhjetor 2021, InChIKey
2. ^ ^{a b c} XJWIEWPGHRSZJM-MGZASHDBSA-N, InChIKey
3. ^ UniChem
4. ^ ^{a b} ECHA Substance Infocard database, 29 dhjetor 2019, 100.224.787, [No public or meaningful name is available], CAS no.: 61012-19-9
5. ^ ^{a b} inferred from SMILES
6. ^ inferred from isomeric SMILES
7. ^ inferred from InChI