Chem
J-GLOBAL ID：200907030537498044
Nikkaji number：J1.248.353H
Lys-Tyr-Thr-Phe-Ala-Val-Thr-Thr-Val-Lys-Thr-Trp-Val-OH
Lys-Tyr-Thr-Phe-Ala-Val-Thr-Thr-Val-Lys-Thr-Trp-Val-OH
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
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
Molecular formula： C75H114N16O19
Molecular formula furigana： C75-H114-N16-O19
Molecular weight： 1543.830
InChI：
InChI=1S/C75H114N16O19/c1-37(2)56(69(103)81-52(26-18-20-32-77)65(99)88-59(41(8)92)72(106)84-55(68(102)87-58(39(5)6)75(109)110)35-47-36-79-51-25-16-15-23-49(47)51)86-73(107)61(43(10)94)91-74(108)62(44(11)95)90-70(104)57(38(3)4)85-63(97)40(7)80-66(100)53(33-45-21-13-12-14-22-45)83-71(105)60(42(9)93)89-67(101)54(34-46-27-29-48(96)30-28-46)82-64(98)50(78)24-17-19-31-76/h12-16,21-23,25,27-30,36-44,50,52-62,79,92-96H,17-20,24,26,31-35,76-78H2,1-11H3,(H,80,100)(H,81,103)(H,82,98)(H,83,105)(H,84,106)(H,85,97)(H,86,107)(H,87,102)(H,88,99)(H,89,101)(H,90,104)(H,91,108)(H,109,110)/t40-,41+,42+,43+,44+,50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1
InChI key：
AYHCXZAOAMNHIL-WRWRNNIISA-N
SMILES：
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)O
Systematic name (3)：
- Lys-Tyr-Thr-Phe-Ala-Val-Thr-Thr-Val-Lys-Thr-Trp-Val-OH
- (2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2,6-ジアミノヘキサンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]-3-ヒドロキシブタンアミド]-3-フェニルプロパンアミド]プロパンアミド]-3-メチルブタンアミド]-3-ヒドロキシブタンアミド]-3-ヒドロキシブタンアミド]-3-メチルブタンアミド]ヘキサンアミド]-3-ヒドロキシブタンアミド]-3-(1H-インドール-3-イル)プロパンアミド]-3-メチルブタン酸
- (2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-phenylpropanamido]propanamido]-3-methylbutanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-3-methylbutanamido]hexanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanoic acid
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