Chem
J-GLOBAL ID：201307000483652626   Nikkaji number：J3.153.492E

L-Cys-L-Met-L-Thr-L-Trp-L-Asn-L-Gln-L-Met-L-Asn-L-Leu-OH

L-Cys-L-Met-L-Thr-L-Trp-L-Asn-L-Gln-L-Met-L-Asn-L-Leu-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： C47H73N13O14S3
Molecular formula furigana： C47-H73-N13-O14-S3
Molecular weight： 1140.360
InChI： InChI=1S/C47H73N13O14S3/c1-22(2)16-34(47(73)74)59-45(71)33(19-37(51)64)56-41(67)29(12-14-76-4)55-40(66)28(10-11-35(49)62)54-44(70)32(18-36(50)63)57-43(69)31(17-24-20-52-27-9-7-6-8-25(24)27)58-46(72)38(23(3)61)60-42(68)30(13-15-77-5)53-39(65)26(48)21-75/h6-9,20,22-23,26,28-34,38,52,61,75H,10-19,21,48H2,1-5H3,(H2,49,62)(H2,50,63)(H2,51,64)(H,53,65)(H,54,70)(H,55,66)(H,56,67)(H,57,69)(H,58,72)(H,59,71)(H,60,68)(H,73,74)/t23-,26+,28+,29+,30+,31+,32+,33+,34+,38+/m1/s1
InChI key： HMEPCWYEHAQDKR-AQFWEAJFSA-N
SMILES： CSCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)O
Systematic name  (3)：
  • L-Cys-L-Met-L-Thr-L-Trp-L-Asn-L-Gln-L-Met-L-Asn-L-Leu-OH
  • (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2R)-2-アミノ-3-スルファニルプロパンアミド]-4-(メチルスルファニル)ブタンアミド]-3-ヒドロキシブタンアミド]-3-(1H-インドール-3-イル)プロパンアミド]-3-カルバモイルプロパンアミド]-4-カルバモイルブタンアミド]-4-(メチルスルファニル)ブタンアミド]-3-カルバモイルプロパンアミド]-4-メチルペンタン酸
  • (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-4-methylpentanoic acid
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