Chem
J-GLOBAL ID:200907033123107670   Nikkaji number:J1.203.366D

L-Val-L-Pro-L-Ile-L-Phe-L-Thr-L-Tyr-Gly-L-Glu-L-Leu-NH2

L-Val-L-Pro-L-Ile-L-Phe-L-Thr-L-Tyr-Gly-L-Glu-L-Leu-NH2
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: C51H76N10O13
Molecular formula furigana: C51-H76-N10-O13
Molecular weight: 1037.226
InChI: InChI=1S/C51H76N10O13/c1-8-29(6)42(59-48(71)38-15-12-22-61(38)51(74)41(52)28(4)5)49(72)58-37(24-31-13-10-9-11-14-31)47(70)60-43(30(7)62)50(73)57-36(25-32-16-18-33(63)19-17-32)45(68)54-26-39(64)55-34(20-21-40(65)66)46(69)56-35(44(53)67)23-27(2)3/h9-11,13-14,16-19,27-30,34-38,41-43,62-63H,8,12,15,20-26,52H2,1-7H3,(H2,53,67)(H,54,68)(H,55,64)(H,56,69)(H,57,73)(H,58,72)(H,59,71)(H,60,70)(H,65,66)/t29-,30+,34-,35-,36-,37-,38-,41-,42-,43-/m0/s1
InChI key: DHUCLBCUWDUUMZ-OLJIOXFPSA-N
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N
Systematic name  (3):
  • L-Val-L-Pro-L-Ile-L-Phe-L-Thr-L-Tyr-Gly-L-Glu-L-Leu-NH2
  • (4S)-4-{2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-アミノ-3-メチルブタノイル]ピロリジン-2-イル]ホルムアミド}-3-メチルペンタンアミド]-3-フェニルプロパンアミド]-3-ヒドロキシブタンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]アセトアミド}-4-{[(1S)-1-カルバモイル-3-メチルブチル]カルバモイル}ブタン酸
  • (4S)-4-{2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-3-phenylpropanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-4-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}butanoic acid
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