Chem
J-GLOBAL ID：200907003831699760   Nikkaji number：J1.353.938C

N-[4-[(L-Cys-L-Leu-Gly-Gly-L-Leu-L-Leu-L-Thr-L-Met-L-Val-)Amino]butyryl]-L-Cys-L-Leu-Gly-L-Ser-L-Leu-L-Leu-L-Thr-L-Met-L-Val-OH

N-[4-[(L-Cys-L-Leu-Gly-Gly-L-Leu-L-Leu-L-Thr-L-Met-L-Val-)アミノ]ブチリル]-L-Cys-L-Leu-Gly-L-Ser-L-Leu-L-Leu-L-Thr-L-Met-L-Val-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： C83H149N19O23S4
Molecular formula furigana： C83-H149-N19-O23-S4
Molecular weight： 1909.460
InChI： InChI=1S/C83H149N19O23S4/c1-40(2)28-53(94-69(110)50(84)38-126)70(111)87-34-62(107)86-35-63(108)89-55(30-42(5)6)74(115)96-57(32-44(9)10)76(117)101-67(48(17)104)81(122)92-51(23-26-128-19)72(113)99-65(46(13)14)80(121)85-25-21-22-61(106)91-60(39-127)79(120)95-54(29-41(3)4)71(112)88-36-64(109)90-59(37-103)78(119)98-56(31-43(7)8)75(116)97-58(33-45(11)12)77(118)102-68(49(18)105)82(123)93-52(24-27-129-20)73(114)100-66(47(15)16)83(124)125/h40-60,65-68,103-105,126-127H,21-39,84H2,1-20H3,(H,85,121)(H,86,107)(H,87,111)(H,88,112)(H,89,108)(H,90,109)(H,91,106)(H,92,122)(H,93,123)(H,94,110)(H,95,120)(H,96,115)(H,97,116)(H,98,119)(H,99,113)(H,100,114)(H,101,117)(H,102,118)(H,124,125)/t48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,65+,66+,67+,68+/m1/s1
InChI key： HYAKWQCTRNOWMM-KJJUTBIHSA-N
SMILES： CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)CCCNC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)O
Systematic name  (3)：
  • N-[4-[(L-Cys-L-Leu-Gly-Gly-L-Leu-L-Leu-L-Thr-L-Met-L-Val-)アミノ]ブチリル]-L-Cys-L-Leu-Gly-L-Ser-L-Leu-L-Leu-L-Thr-L-Met-L-Val-OH
  • (2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2R)-2-{4-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2R)-2-アミノ-3-スルファニルプロパンアミド]-4-メチルペンタンアミド]アセトアミド}アセトアミド)-4-メチルペンタンアミド]-4-メチルペンタンアミド]-3-ヒドロキシブタンアミド]-4-(メチルスルファニル)ブタンアミド]-3-メチルブタンアミド]ブタンアミド}-3-スルファニルプロパンアミド]-4-メチルペンタンアミド]アセトアミド}-3-ヒドロキシプロパンアミド]-4-メチルペンタンアミド]-4-メチルペンタンアミド]-3-ヒドロキシブタンアミド]-4-(メチルスルファニル)ブタンアミド]-3-メチルブタン酸
  • (2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2R)-2-{4-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-methylpentanamido]acetamido}acetamido)-4-methylpentanamido]-4-methylpentanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-methylbutanamido]butanamido}-3-sulfanylpropanamido]-4-methylpentanamido]acetamido}-3-hydroxypropanamido]-4-methylpentanamido]-4-methylpentanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-methylbutanoic acid
Other name (1)：
  • N-[4-[(L-Cys-L-Leu-Gly-Gly-L-Leu-L-Leu-L-Thr-L-Met-L-Val-)Amino]butyryl]-L-Cys-L-Leu-Gly-L-Ser-L-Leu-L-Leu-L-Thr-L-Met-L-Val-OH
Thsaurus map：
Thesaurus Map

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