Chem
J-GLOBAL ID：200907002917392695
Nikkaji number：J1.010.446G
L-Tyr-L-Gly-L-Gly-L-Phe-L-Leu-L-Arg-L-Arg-L-Gln-L-Phe-L-Lys-L-Arg-D-Ala-L-Thr-OH
L-Tyr-L-Gly-L-Gly-L-Phe-L-Leu-L-Arg-L-Arg-L-Gln-L-Phe-L-Lys-L-Arg-D-Ala-L-Thr-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： C73H114N24O17
Molecular formula furigana： C73-H114-N24-O17
Molecular weight： 1599.866
InChI：
InChI=1S/C73H114N24O17/c1-40(2)34-53(95-68(111)54(36-43-16-7-5-8-17-43)89-58(102)39-86-57(101)38-87-61(104)47(75)35-45-24-26-46(99)27-25-45)67(110)93-51(23-15-33-85-73(81)82)64(107)91-50(22-14-32-84-72(79)80)65(108)94-52(28-29-56(76)100)66(109)96-55(37-44-18-9-6-10-19-44)69(112)92-48(20-11-12-30-74)63(106)90-49(21-13-31-83-71(77)78)62(105)88-41(3)60(103)97-59(42(4)98)70(113)114/h5-10,16-19,24-27,40-42,47-55,59,98-99H,11-15,20-23,28-39,74-75H2,1-4H3,(H2,76,100)(H,86,101)(H,87,104)(H,88,105)(H,89,102)(H,90,106)(H,91,107)(H,92,112)(H,93,110)(H,94,108)(H,95,111)(H,96,109)(H,97,103)(H,113,114)(H4,77,78,83)(H4,79,80,84)(H4,81,82,85)/t41-,42-,47+,48+,49+,50+,51+,52+,53+,54+,55+,59+/m1/s1
InChI key：
AHPIWSVHRGODBR-PXIDJQNSSA-N
SMILES：
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)O
Systematic name (3)：
- L-Tyr-L-Gly-L-Gly-L-Phe-L-Leu-L-Arg-L-Arg-L-Gln-L-Phe-L-Lys-L-Arg-D-Ala-L-Thr-OH
- (2S,3R)-2-[(2R)-2-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-アミノ-3-(4-ヒドロキシフェニル)プロパンアミド]アセトアミド}アセトアミド)-3-フェニルプロパンアミド]-4-メチルペンタンアミド]-5-カルバムイミドアミドペンタンアミド]-5-カルバムイミドアミドペンタンアミド]-4-カルバモイルブタンアミド]-3-フェニルプロパンアミド]ヘキサンアミド]-5-カルバムイミドアミドペンタンアミド]プロパンアミド]-3-ヒドロキシブタン酸
- (2S,3R)-2-[(2R)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-3-phenylpropanamido]hexanamido]-5-carbamimidamidopentanamido]propanamido]-3-hydroxybutanoic acid
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