Chemical Compound

(1R,4R,5S,8R,15R,18S,21R)-21-benzyl-18-[(1S)-1-hydroxyethyl]-4-methyl-8-(2-methylpropyl)-3-oxa-10,23,29,30-tetrathia-7,14,17,20,27,32,33,34-octaazapentacyclo[13.12.4.12,5.19,12.122,25]tetratriaconta-2(34),9(33),11,22(32),24-pentaene-6,13,16,19,26-pentone

CAS Registry Number 218916-94-0
(1R,4R,5S,8R,15R,18S,21R)-21-benzyl-18-[(1S)-1-hydroxyethyl]-4-methyl-8-(2-methylpropyl)-3-oxa-10,23,29,30-tetrathia-7,14,17,20,27,32,33,34-octaazapentacyclo[13.12.4.12,5.19,12.122,25]tetratriaconta-2(34),9(33),11,22(32),24-pentaene-6,13,16,19,26-pentone 结构式
Primary record

(1R,4R,5S,8R,15R,18S,21R)-21-benzyl-18-[(1S)-1-hydroxyethyl]-4-methyl-8-(2-methylpropyl)-3-oxa-10,23,29,30-tetrathia-7,14,17,20,27,32,33,34-octaazapentacyclo[13.12.4.12,5.19,12.122,25]tetratriaconta-2(34),9(33),11,22(32),24-pentaene-6,13,16,19,26-pentone

库存
8,943 克
纯度
99.5 %
CAS
218916-94-0

化合物标识与属性

CAS
218916-94-0
PubChem CID
100927669
SMILES
C[C@@H]1[C@H]2C(=O)N[C@@H](C3=NC(=CS3)C(=O)N[C@H]4CSSC[C@@H](C(=N2)O1)NC(=O)C5=CSC(=N5)[C@H](NC(=O)[C@@H](NC4=O)[C@H](C)O)CC6=CC=CC=C6)CC(C)C
Canonical SMILES
CC(C)C[C@H]1NC(=O)[C@H]2N=C(O[C@@H]2C)[C@@H]2CSSC[C@H](NC(=O)c3csc1n3)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H](Cc1ccccc1)c1nc(cs1)C(=O)N2

名称与同义词

  • Ulithiacyclamide G
  • SCHEMBL20333099
  • J1.034.452B
  • 218916-94-0
  • Cyclo((4S,5R)-2-((1R)-1-amino-2-mercaptoethyl)-4,5-dihydro-5-methyl-4-oxazolecarbonyl-2-((1R)-1-amino-3-methylbutyl)-4-thiazolecarbonyl-L-cysteinyl-L-threonyl-2-((1R)-1-amino-2-phenylethyl)-4-thiazolecarbonyl), cyclic (1-3)-disulfide
  • (4S,8R)-2-Oxo-8-benzyl-8-deisobutyl-2,36-dihydro-2,3-secoulithiacyclamide
  • (1R,4R,5S,8R,15R,18S,21R)-21-benzyl-18-[(1S)-1-hydroxyethyl]-4-methyl-8-(2-methylpropyl)-3-oxa-10,23,29,30-tetrathia-7,14,17,20,27,32,33,34-octaazapentacyclo[13.12.4.12,5.19,12.122,25]tetratriaconta-2(34),9(33),11,22(32),24-pentaene-6,13,16,19,26-pentone