Chem
J-GLOBAL ID:200907016470455750
Nikkaji number:J690.557I
Kemptide
ケンプチド
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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:
C32 H61 N13 O9
Molecular formula furigana:
C32-H61-N13-O9
Molecular weight:
771.922
InChI:
InChI=1S/C32H61N13O9/c1-16(2)12-19(33)26(50)42-21(9-7-11-39-32(36)37)29(53)43-20(8-6-10-38-31(34)35)28(52)41-18(5)25(49)45-23(15-46)30(54)44-22(13-17(3)4)27(51)40-14-24(47)48/h16-23,46H,6-15,33H2,1-5H3,(H,40,51)(H,41,52)(H,42,50)(H,43,53)(H,44,54)(H,45,49)(H,47,48)(H4,34,35,38)(H4,36,37,39)/t18-,19-,20-,21-,22-,23-/m0/s1
InChI key:
WIGDGIGALMYEBW-LLINQDLYSA-N
SMILES:
CC(C)C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O
Systematic name (4):
L-Leu-L-Arg-L-Arg-L-Ala-L-Ser-L-Leu-Gly-OH
Leu-Arg-Arg-Ala-Ser-Leu-Gly-OH
2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-4-メチルペンタンアミド]-5-カルバムイミドアミドペンタンアミド]-5-カルバムイミドアミドペンタンアミド]プロパンアミド]-3-ヒドロキシプロパンアミド]-4-メチルペンタンアミド]酢酸
2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]propanamido]-3-hydroxypropanamido]-4-methylpentanamido]acetic acid
Other name (2):
CAS registry number:
65189-71-1
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