Chem
J-GLOBAL ID：200907028569686506   Nikkaji number：J1.184.467G

KADA8-I

L-Lys-L-Ala-L-Asp-L-Ala-L-Lys-L-Ala-L-Asp-L-Ala-OH
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： C32H56N10O13
Molecular formula furigana： C32-H56-N10-O13
Molecular weight： 788.857
InChI： InChI=1S/C32H56N10O13/c1-15(36-28(50)19(35)9-5-7-11-33)26(48)41-21(13-23(43)44)30(52)38-16(2)25(47)40-20(10-6-8-12-34)29(51)37-17(3)27(49)42-22(14-24(45)46)31(53)39-18(4)32(54)55/h15-22H,5-14,33-35H2,1-4H3,(H,36,50)(H,37,51)(H,38,52)(H,39,53)(H,40,47)(H,41,48)(H,42,49)(H,43,44)(H,45,46)(H,54,55)/t15-,16-,17-,18-,19-,20-,21-,22-/m0/s1
InChI key： AWKBHQBJJUTRSV-JOFXYRRGSA-N
SMILES： C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCCN)C(=O)O
Systematic name  (3)：
  • L-Lys-L-Ala-L-Asp-L-Ala-L-Lys-L-Ala-L-Asp-L-Ala-OH
  • (3S)-3-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-3-カルボキシ-2-[(2S)-2-[(2S)-2,6-ジアミノヘキサンアミド]プロパンアミド]プロパンアミド]プロパンアミド]ヘキサンアミド]プロパンアミド]-3-{[(1S)-1-カルボキシエチル]カルバモイル}プロパン酸
  • (3S)-3-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-3-carboxy-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]propanamido]propanamido]propanamido]hexanamido]propanamido]-3-{[(1S)-1-carboxyethyl]carbamoyl}propanoic acid
Other name (1)：
  • KADA8-I
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