Chem
J-GLOBAL ID：200907062368120907   Nikkaji number：J784.184A

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

L-Ala-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： C52H83N13O11S
Molecular formula furigana： C52-H83-N13-O11-S
Molecular weight： 1098.380
InChI： InChI=1S/C52H83N13O11S/c1-5-30(2)43(49(72)60-37(20-21-42(56)66)51(74)65-26-12-18-40(65)47(70)61-38(52(75)76)17-9-11-24-54)63-46(69)39(28-32-29-57-34-15-7-6-14-33(32)34)62-48(71)41-19-13-25-64(41)50(73)36(16-8-10-23-53)59-45(68)35(22-27-77-4)58-44(67)31(3)55/h6-7,14-15,29-31,35-41,43,57H,5,8-13,16-28,53-55H2,1-4H3,(H2,56,66)(H,58,67)(H,59,68)(H,60,72)(H,61,70)(H,62,71)(H,63,69)(H,75,76)/t30-,31-,35-,36-,37-,38-,39-,40-,41-,43-/m0/s1
InChI key： ODLZIMAJNVNJEX-GZCZXRBKSA-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](CCSC)NC(=O)[C@H](C)N)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-Ala-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-[(2S)-2-アミノプロパンアミド]-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-[(2S)-2-aminopropanamido]-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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