Chem
J-GLOBAL ID：200907041348308511   Nikkaji number：J784.181G

L-Met-L-Lys-L-Pro-L-Trp-L-Ile-L-Gln-L-Pro-L-Lys-OH

L-Met-L-Lys-L-Pro-L-Trp-L-Ile-L-Gln-L-Pro-L-Lys-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： C49H78N12O10S
Molecular formula furigana： C49-H78-N12-O10-S
Molecular weight： 1027.300
InChI： InChI=1S/C49H78N12O10S/c1-4-29(2)41(46(67)56-35(19-20-40(53)62)48(69)61-25-11-17-38(61)44(65)57-36(49(70)71)16-8-10-23-51)59-43(64)37(27-30-28-54-33-14-6-5-13-31(30)33)58-45(66)39-18-12-24-60(39)47(68)34(15-7-9-22-50)55-42(63)32(52)21-26-72-3/h5-6,13-14,28-29,32,34-39,41,54H,4,7-12,15-27,50-52H2,1-3H3,(H2,53,62)(H,55,63)(H,56,67)(H,57,65)(H,58,66)(H,59,64)(H,70,71)/t29-,32-,34-,35-,36-,37-,38-,39-,41-/m0/s1
InChI key： WLFZUYNAZUILDK-VJEMLBLASA-N
SMILES： CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O
Systematic name  (3)：
  • L-Met-L-Lys-L-Pro-L-Trp-L-Ile-L-Gln-L-Pro-L-Lys-OH
  • (2S)-6-アミノ-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-{[(2S)-1-[(2S)-6-アミノ-2-[(2S)-2-アミノ-4-(メチルスルファニル)ブタンアミド]ヘキサノイル]ピロリジン-2-イル]ホルムアミド}-3-(1H-インドール-3-イル)プロパンアミド]-3-メチルペンタンアミド]-4-カルバモイルブタノイル]ピロリジン-2-イル]ホルムアミド}ヘキサン酸
  • (2S)-6-amino-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-{[(2S)-1-[(2S)-6-amino-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]hexanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}hexanoic acid
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