Chem
J-GLOBAL ID：200907099383559827   Nikkaji number：J847.793K

L-Ile-L-Phe-L-Met-L-Asn-Gly-L-Thr-L-Met-L-Ser-L-Gln-L-Val-OH

L-Ile-L-Phe-L-Met-L-Asn-Gly-L-Thr-L-Met-L-Ser-L-Gln-L-Val-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： C48H78N12O15S2
Molecular formula furigana： C48-H78-N12-O15-S2
Molecular weight： 1127.340
InChI： InChI=1S/C48H78N12O15S2/c1-8-25(4)37(51)46(72)57-31(20-27-12-10-9-11-13-27)44(70)54-29(16-18-76-6)41(67)56-32(21-35(50)64)40(66)52-22-36(65)59-39(26(5)62)47(73)55-30(17-19-77-7)42(68)58-33(23-61)45(71)53-28(14-15-34(49)63)43(69)60-38(24(2)3)48(74)75/h9-13,24-26,28-33,37-39,61-62H,8,14-23,51H2,1-7H3,(H2,49,63)(H2,50,64)(H,52,66)(H,53,71)(H,54,70)(H,55,73)(H,56,67)(H,57,72)(H,58,68)(H,59,65)(H,60,69)(H,74,75)/t25-,26+,28-,29-,30-,31-,32-,33-,37-,38-,39-/m0/s1
InChI key： WSFOSLHSHPKFJC-WMMHAXATSA-N
SMILES： CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)O
Systematic name  (3)：
  • L-Ile-L-Phe-L-Met-L-Asn-Gly-L-Thr-L-Met-L-Ser-L-Gln-L-Val-OH
  • (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-アミノ-3-メチルペンタンアミド]-3-フェ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-カルバモイルプロパンアミド]アセトアミド}-3-ヒドロキシブタンアミド]-4-(メチルスルファニル)ブタンアミド]-3-ヒドロキシプロパンアミド]-4-カルバモイルブタンアミド]-3-メチルブタン酸
  • (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]acetamido}-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]-3-methylbutanoic acid
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