Chem
J-GLOBAL ID：200907054687876442
Nikkaji number：J2.070.207I
Leu-Ile-Ala-Gly-Leu-Phe-Ala-Ser-Phe-Trp-Gln-Val-Phe-OH
Leu-Ile-Ala-Gly-Leu-Phe-Ala-Ser-Phe-Trp-Gln-Val-Phe-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： C77H107N15O16
Molecular formula furigana： C77-H107-N15-O16
Molecular weight： 1498.792
InChI：
InChI=1S/C77H107N15O16/c1-11-45(8)65(92-68(98)53(78)33-42(2)3)76(106)83-46(9)66(96)81-40-63(95)84-56(34-43(4)5)71(101)86-57(35-48-23-15-12-16-24-48)70(100)82-47(10)67(97)90-61(41-93)74(104)87-58(36-49-25-17-13-18-26-49)72(102)88-59(38-51-39-80-54-30-22-21-29-52(51)54)73(103)85-55(31-32-62(79)94)69(99)91-64(44(6)7)75(105)89-60(77(107)108)37-50-27-19-14-20-28-50/h12-30,39,42-47,53,55-61,64-65,80,93H,11,31-38,40-41,78H2,1-10H3,(H2,79,94)(H,81,96)(H,82,100)(H,83,106)(H,84,95)(H,85,103)(H,86,101)(H,87,104)(H,88,102)(H,89,105)(H,90,97)(H,91,99)(H,92,98)(H,107,108)/t45-,46-,47-,53-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
InChI key：
SZKYRGRFITWBLI-KWXQJHLQSA-N
SMILES：
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Systematic name (3)：
- Leu-Ile-Ala-Gly-Leu-Phe-Ala-Ser-Phe-Trp-Gln-Val-Phe-OH
- (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S,3S)-2-[(2S)-2-アミノ-4-メチルペンタンアミド]-3-メチルペンタンアミド]プロパンアミド]アセトアミド}-4-メチルペンタンアミド]-3-フェニルプロパンアミド]プロパンアミド]-3-ヒドロキシプロパンアミド]-3-フェニルプロパンアミド]-3-(1H-インドール-3-イル)プロパンアミド]-4-カルバモイルブタンアミド]-3-メチルブタンアミド]-3-フェニルプロパン酸
- (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-4-methylpentanamido]-3-methylpentanamido]propanamido]acetamido}-4-methylpentanamido]-3-phenylpropanamido]propanamido]-3-hydroxypropanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-methylbutanamido]-3-phenylpropanoic acid
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