Chem
J-GLOBAL ID：201107023824525763   Nikkaji number：J2.960.880F

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

L-Cys-L-Tyr-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： C51H73N13O15S2
Molecular formula furigana： C51-H73-N13-O15-S2
Molecular weight： 1172.340
InChI： InChI=1S/C51H73N13O15S2/c1-24(2)17-38(51(78)79)63-48(75)37(21-41(55)69)60-45(72)33(15-16-81-4)58-44(71)32(13-14-39(53)67)57-47(74)36(20-40(54)68)61-46(73)35(19-27-22-56-31-8-6-5-7-29(27)31)62-50(77)42(25(3)65)64-49(76)34(59-43(70)30(52)23-80)18-26-9-11-28(66)12-10-26/h5-12,22,24-25,30,32-38,42,56,65-66,80H,13-21,23,52H2,1-4H3,(H2,53,67)(H2,54,68)(H2,55,69)(H,57,74)(H,58,71)(H,59,70)(H,60,72)(H,61,73)(H,62,77)(H,63,75)(H,64,76)(H,78,79)/t25-,30+,32+,33+,34+,35+,36+,37+,38+,42+/m1/s1
InChI key： WXLLJKOGKLXQOI-FEFHGTNLSA-N
SMILES： CSCC[C@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CS)[C@@H](C)O)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-Tyr-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]-3-(4-ヒドロキシフェニル)プロパンアミド]-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]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-4-methylpentanoic acid
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