Chem
J-GLOBAL ID:200907068483110654
Nikkaji number:J1.632.524D
Peptide T1
ペプチドT1
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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:
C30 H51 N11 O12 S3
Molecular formula furigana:
C30-H51-N11-O12-S3
Molecular weight:
853.980
InChI:
InChI=1S/C30H51N11O12S3/c1-15(42)37-17(4-2-3-7-31)27(50)33-9-22(44)39-19(13-55)29(52)35-11-24(46)41-20(14-56)30(53)36-10-23(45)40-18(12-54)28(51)34-8-21(43)38-16(26(32)49)5-6-25(47)48/h16-20,54-56H,2-14,31H2,1H3,(H2,32,49)(H,33,50)(H,34,51)(H,35,52)(H,36,53)(H,37,42)(H,38,43)(H,39,44)(H,40,45)(H,41,46)(H,47,48)/t16-,17-,18-,19-,20-/m0/s1
InChI key:
NEBCWPXKYLNTMS-HVTWWXFQSA-N
SMILES:
CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N
Systematic name (3):
Ac-L-Lys-Gly-L-Cys-Gly-L-Cys-Gly-L-Cys-Gly-L-Glu-NH2
(4S)-4-{2-[(2R)-2-{2-[(2R)-2-{2-[(2R)-2-{2-[(2S)-6-アミノ-2-アセトアミドヘキサンアミド]アセトアミド}-3-スルファニルプロパンアミド]アセトアミド}-3-スルファニルプロパンアミド]アセトアミド}-3-スルファニルプロパンアミド]アセトアミド}-4-カルバモイルブタン酸
(4S)-4-{2-[(2R)-2-{2-[(2R)-2-{2-[(2R)-2-{2-[(2S)-6-amino-2-acetamidohexanamido]acetamido}-3-sulfanylpropanamido]acetamido}-3-sulfanylpropanamido]acetamido}-3-sulfanylpropanamido]acetamido}-4-carbamoylbutanoic acid
Other name (2):
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