Chem
J-GLOBAL ID：200907093399776285   Nikkaji number：J1.650.989B

(4R,7S,10S,13S,16R,19R)-6,9,12,15,18-Pentaoxo-7-isopropyl-10-(carboxymethyl)-13-isobutyl-16-[(1R)-1-methylpropyl]-19-amino-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxylic acid

(4R,7S,10S,13S,16R,19R)-6,9,12,15,18-ペンタオキソ-7-イソプロピル-10-(カルボキシメチル)-13-イソブチル-16-[(1R)-1-メチルプロピル]-19-アミノ-1,2-ジチア-5,8,11,14,17-ペンタアザシクロイコサン-4-カルボン酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C27H46N6O9S2
Molecular formula furigana： C27-H46-N6-O9-S2
Molecular weight： 662.820
InChI： InChI=1S/C27H46N6O9S2/c1-7-14(6)21-26(40)30-16(8-12(2)3)23(37)29-17(9-19(34)35)24(38)32-20(13(4)5)25(39)31-18(27(41)42)11-44-43-10-15(28)22(36)33-21/h12-18,20-21H,7-11,28H2,1-6H3,(H,29,37)(H,30,40)(H,31,39)(H,32,38)(H,33,36)(H,34,35)(H,41,42)/t14-,15+,16?,17+,18?,20+,21-/m1/s1
InChI key： MWCWELOGPXDNMX-QKGBIARCSA-N
SMILES： CC[C@@H](C)[C@H]1NC(=O)[C@@H](N)CSSCC(NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)C(CC(C)C)NC1=O)C(C)C)C(=O)O
Systematic name  (3)：
  • (4R,7S,10S,13S,16R,19R)-6,9,12,15,18-ペンタオキソ-7-イソプロピル-10-(カルボキシメチル)-13-イソブチル-16-[(1R)-1-メチルプロピル]-19-アミノ-1,2-ジチア-5,8,11,14,17-ペンタアザシクロイコサン-4-カルボン酸
  • (4R,7S,10S,13S,16R,19R)-19-アミノ-16-[(2R)-ブタン-2-イル]-10-(カルボキシメチル)-13-(2-メチルプロピル)-6,9,12,15,18-ペンタオキソ-7-(プロパン-2-イル)-1,2-ジチア-5,8,11,14,17-ペンタアザシクロイコサン-4-カルボン酸
  • (4R,7S,10S,13S,16R,19R)-19-amino-16-[(2R)-butan-2-yl]-10-(carboxymethyl)-13-(2-methylpropyl)-6,9,12,15,18-pentaoxo-7-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxylic acid
Other name (1)：
  • (4R,7S,10S,13S,16R,19R)-6,9,12,15,18-Pentaoxo-7-isopropyl-10-(carboxymethyl)-13-isobutyl-16-[(1R)-1-methylpropyl]-19-amino-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxylic acid
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM