Chem
J-GLOBAL ID：200907077649110045   Nikkaji number：J1.949.321K

L-Val-Gly-L-Ile-Gly-L-Phe-L-His-L-Leu-L-Gln-L-Ile-L-Tyr-OH

L-Val-Gly-L-Ile-Gly-L-Phe-L-His-L-Leu-L-Gln-L-Ile-L-Tyr-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： C56H83N13O13
Molecular formula furigana： C56-H83-N13-O13
Molecular weight： 1146.358
InChI： InChI=1S/C56H83N13O13/c1-9-32(7)47(68-45(73)28-60-53(78)46(58)31(5)6)54(79)61-27-44(72)63-40(23-34-14-12-11-13-15-34)51(76)66-41(25-36-26-59-29-62-36)52(77)65-39(22-30(3)4)50(75)64-38(20-21-43(57)71)49(74)69-48(33(8)10-2)55(80)67-42(56(81)82)24-35-16-18-37(70)19-17-35/h11-19,26,29-33,38-42,46-48,70H,9-10,20-25,27-28,58H2,1-8H3,(H2,57,71)(H,59,62)(H,60,78)(H,61,79)(H,63,72)(H,64,75)(H,65,77)(H,66,76)(H,67,80)(H,68,73)(H,69,74)(H,81,82)/t32-,33-,38-,39-,40-,41-,42-,46-,47-,48-/m0/s1
InChI key： HRODDFYYWIIMDU-CPMGHAOFSA-N
SMILES： CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
Systematic name  (3)：
  • L-Val-Gly-L-Ile-Gly-L-Phe-L-His-L-Leu-L-Gln-L-Ile-L-Tyr-OH
  • (2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S,3S)-2-{2-[(2S)-2-アミノ-3-メチルブタンアミド]アセトアミド}-3-メチルペンタンアミド]アセトアミド}-3-フェニルプロパンアミド]-3-(1H-イミダゾール-4-イル)プロパンアミド]-4-メチルペンタンアミド]-4-カルバモイルブタンアミド]-3-メチルペンタンアミド]-3-(4-ヒドロキシフェニル)プロパン酸
  • (2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S,3S)-2-{2-[(2S)-2-amino-3-methylbutanamido]acetamido}-3-methylpentanamido]acetamido}-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanoic acid
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