Chem
J-GLOBAL ID:200907035977606339   Nikkaji number:J898.972I

L-Tyr-D-Pen(1)-Gly-L-Phe-L-Pen(1)-L-Phe-OH

L-Tyr-D-Pen(1)-Gly-L-Phe-L-Pen(1)-L-Phe-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: C39H48N6O8S2
Molecular formula furigana: C39-H48-N6-O8-S2
Molecular weight: 792.970
InChI: InChI=1S/C39H48N6O8S2/c1-38(2)31(44-33(48)27(40)19-25-15-17-26(46)18-16-25)35(50)41-22-30(47)42-28(20-23-11-7-5-8-12-23)34(49)45-32(39(3,4)55-54-38)36(51)43-29(37(52)53)21-24-13-9-6-10-14-24/h5-18,27-29,31-32,46H,19-22,40H2,1-4H3,(H,41,50)(H,42,47)(H,43,51)(H,44,48)(H,45,49)(H,52,53)/t27-,28-,29-,31?,32+/m0/s1
InChI key: NIEYJJXWPSBIJP-UFBCMQJMSA-N
SMILES: CC1(C)SSC(C)(C)C(NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Systematic name  (3):
  • L-Tyr-D-Pen(1)-Gly-L-Phe-L-Pen(1)-L-Phe-OH
  • (2S)-2-{[(4R,7S,13S)-13-[(2S)-2-アミノ-3-(4-ヒドロキシフェニル)プロパンアミド]-7-ベンジル-3,3,14,14-テトラメチル-6,9,12-トリオキソ-1,2-ジチア-5,8,11-トリアザシクロテトラデカン-4-イル]ホルムアミド}-3-フェニルプロパン酸
  • (2S)-2-{[(4R,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecan-4-yl]formamido}-3-phenylpropanoic acid
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