Chem
J-GLOBAL ID：200907043988969274   Nikkaji number：J1.887.675B

Lys-Thr-L-Glu-D-Glu-Ile-Ser-L-Glu-L-Val-L-Asn-[(3S,4S)-3-Hydroxy-4-isopropyl-γAbu-]-Ala-Glu-Phe-OH

Lys-Thr-L-Glu-D-Glu-Ile-Ser-L-Glu-L-Val-L-Asn-[(3S,4S)-3-ヒドロキシ-4-イソプロピル-γAbu-]-Ala-Glu-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： C67H107N15O26
Molecular formula furigana： C67-H107-N15-O26
Molecular weight： 1538.672
InChI： InChI=1S/C67H107N15O26/c1-9-33(6)54(81-61(101)41(21-25-51(94)95)73-58(98)39(19-23-49(90)91)75-66(106)55(35(8)84)82-57(97)37(69)17-13-14-26-68)65(105)78-44(30-83)63(103)74-40(20-24-50(92)93)60(100)80-53(32(4)5)64(104)76-42(28-46(70)86)62(102)79-52(31(2)3)45(85)29-47(87)71-34(7)56(96)72-38(18-22-48(88)89)59(99)77-43(67(107)108)27-36-15-11-10-12-16-36/h10-12,15-16,31-35,37-45,52-55,83-85H,9,13-14,17-30,68-69H2,1-8H3,(H2,70,86)(H,71,87)(H,72,96)(H,73,98)(H,74,103)(H,75,106)(H,76,104)(H,77,99)(H,78,105)(H,79,102)(H,80,100)(H,81,101)(H,82,97)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H,107,108)/t33-,34-,35+,37-,38-,39-,40-,41+,42-,43-,44-,45-,52-,53-,54-,55-/m0/s1
InChI key： LDMUECIDNRWHTL-YTEYHZCHSA-N
SMILES： CC[C@H](C)[C@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Systematic name  (3)：
  • Lys-Thr-L-Glu-D-Glu-Ile-Ser-L-Glu-L-Val-L-Asn-[(3S,4S)-3-ヒドロキシ-4-イソプロピル-γAbu-]-Ala-Glu-Phe-OH
  • (4S)-4-{[(1R)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-2-カルバモイル-1-{[(2S,3S)-1-{[(1S)-1-{[(1S)-3-カルボキシ-1-{[(1S)-1-カルボキシ-2-フェニルエチル]カルバモイル}プロピル]カルバモイル}エチル]カルバモイル}-2-ヒドロキシ-4-メチルペンタン-3-イル]カルバモイル}エチル]カルバモイル}-2-メチルプロピル]カルバモイル}-3-カルボキシプロピル]カルバモイル}-2-ヒドロキシエチル]カルバモイル}-2-メチルブチル]カルバモイル}-3-カルボキシプロピル]カルバモイル}-4-[(2S,3R)-2-[(2S)-2,6-ジアミノヘキサンアミド]-3-ヒドロキシブタンアミド]ブタン酸
  • (4S)-4-{[(1R)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(2S,3S)-1-{[(1S)-1-{[(1S)-3-carboxy-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propyl]carbamoyl}ethyl]carbamoyl}-2-hydroxy-4-methylpentan-3-yl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-carboxypropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-methylbutyl]carbamoyl}-3-carboxypropyl]carbamoyl}-4-[(2S,3R)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxybutanamido]butanoic acid
Other name (1)：
  • Lys-Thr-L-Glu-D-Glu-Ile-Ser-L-Glu-L-Val-L-Asn-[(3S,4S)-3-Hydroxy-4-isopropyl-γAbu-]-Ala-Glu-Phe-OH
Thsaurus map：
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