Chemical Compound

(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S,34R)-30-ethyl-34-[(2R,4E)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octamethyl-33-(methylamino)-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decaazacyclotetratriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone

CAS Registry Number 59865-16-6
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S,34R)-30-ethyl-34-[(2R,4E)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octamethyl-33-(methylamino)-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decaazacyclotetratriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone 结构式
Primary record

(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S,34R)-30-ethyl-34-[(2R,4E)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octamethyl-33-(methylamino)-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decaazacyclotetratriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone

库存
6,905 克
纯度
98.2 %
CAS
59865-16-6

化合物标识与属性

CAS
59865-16-6
PubChem CID
172652565
SMILES
CCC1C(=O)N(CC(=O)N([C@H](C(=O)NC(C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N(C(C(=O)N([C@H](C(=O)OC([C@@H](C(=O)N1)NC)[C@H](C)C/C=C/C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
Canonical SMILES
C/C=C/C[C@@H](C)C1OC(=O)[C@H](C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)C(CC)NC(=O)[C@H]1NC

名称与同义词

  • Isocyclosporin A
  • J413.948H
  • (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S,34R)-30-ethyl-34-[(2R,4E)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octamethyl-33-(methylamino)-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decaazacyclotetratriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone
  • 59865-16-6
  • Cyclo[L-Abu-Sar-N-methyl-L-Leu-L-Val-N-methyl-L-Leu-L-Ala-D-Ala-N-methyl-L-Leu-N-methyl-L-Leu-N-methyl-L-Val-[(3R,4R)-3-hydroxy*-N-methyl-5-[(E)-1-propenyl]-L-Leu-]]