Chem
J-GLOBAL ID：201807019268890818   Nikkaji number：J3.708.045D

Namalide C

ナマリドC
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： C28H43N5O7
Molecular formula furigana： C28-H43-N5-O7
Molecular weight： 561.680
InChI： InChI=1S/C28H43N5O7/c1-5-17(4)23(27(38)39)33-28(40)31-20-8-6-7-15-29-24(35)21(14-11-18-9-12-19(34)13-10-18)30-26(37)22(16(2)3)32-25(20)36/h9-10,12-13,16-17,20-23,34H,5-8,11,14-15H2,1-4H3,(H,29,35)(H,30,37)(H,32,36)(H,38,39)(H2,31,33,40)/t17-,20?,21+,22?,23+/m1/s1
InChI key： VYCMKIJKBUVUBL-XUHFSBHWSA-N
SMILES： CC[C@@H](C)[C@H](NC(=O)NC1CCCCNC(=O)[C@H](CCc2ccc(O)cc2)NC(=O)C(NC1=O)C(C)C)C(=O)O
Systematic name  (3)：
  • N2-[[(1S,2R)-1-(ヒドロキシカルボニル)-2-メチルブチル]カルバモイル]シクロ[D-Lys*-L-Val-3-(4-ヒドロキシベンジル)-L-Ala-]
  • (2S,3R)-2-({[(3S,6S,9R)-3-[2-(4-ヒドロキシフェニル)エチル]-2,5,8-トリオキソ-6-(プロパン-2-イル)-1,4,7-トリアザシクロトリデカン-9-イル]カルバモイル}アミノ)-3-メチルペンタン酸
  • (2S,3R)-2-({[(3S,6S,9R)-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-6-(propan-2-yl)-1,4,7-triazacyclotridecan-9-yl]carbamoyl}amino)-3-methylpentanoic acid
Other name (3)：
  • N2-[[(1S,2R)-1-(Hydroxycarbonyl)-2-methylbutyl]carbamoyl]cyclo[D-Lys*-L-Val-3-(4-hydroxybenzyl)-L-Ala-]
  • ナマリドC
  • Namalide C
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