Chem
J-GLOBAL ID:201007002770819982   Nikkaji number:J2.876.168F

3-(2-Thienyl)-L-Ala-3-(2-thienyl)-L-Ala-L-Val-L-Leu-L-Lys-L-Ala-L-Ala-OH

3-(2-チエニル)-L-Ala-3-(2-チエニル)-L-Ala-L-Val-L-Leu-L-Lys-L-Ala-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: C37H58N8O8S2
Molecular formula furigana: C37-H58-N8-O8-S2
Molecular weight: 807.040
InChI: InChI=1S/C37H58N8O8S2/c1-20(2)17-28(34(49)42-27(13-7-8-14-38)33(48)40-22(5)31(46)41-23(6)37(52)53)44-36(51)30(21(3)4)45-35(50)29(19-25-12-10-16-55-25)43-32(47)26(39)18-24-11-9-15-54-24/h9-12,15-16,20-23,26-30H,7-8,13-14,17-19,38-39H2,1-6H3,(H,40,48)(H,41,46)(H,42,49)(H,43,47)(H,44,51)(H,45,50)(H,52,53)/t22-,23-,26-,27-,28-,29-,30-/m0/s1
InChI key: JZAHEMKAUITCAV-FOIAGIETSA-N
SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](N)Cc1cccs1)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O
Systematic name  (3):
  • 3-(2-チエニル)-L-Ala-3-(2-チエニル)-L-Ala-L-Val-L-Leu-L-Lys-L-Ala-L-Ala-OH
  • (2S)-2-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-3-(チオフェン-2-イル)プロパンアミド]-3-(チオフェン-2-イル)プロパンアミド]-3-メチルブタンアミド]-4-メチルペンタンアミド]ヘキサンアミド]プロパンアミド]プロパン酸
  • (2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(thiophen-2-yl)propanamido]-3-(thiophen-2-yl)propanamido]-3-methylbutanamido]-4-methylpentanamido]hexanamido]propanamido]propanoic acid
Other name (1):
  • 3-(2-Thienyl)-L-Ala-3-(2-thienyl)-L-Ala-L-Val-L-Leu-L-Lys-L-Ala-L-Ala-OH
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