Chem
J-GLOBAL ID：200907046760804118
Nikkaji number：J2.188.246A
Ala-Asp-Leu-Ser-Gly-Ile-Thr-Gly-Ala-Arg-OH
Ala-Asp-Leu-Ser-Gly-Ile-Thr-Gly-Ala-Arg-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： C39H69N13O15
Molecular formula furigana： C39-H69-N13-O15
Molecular weight： 960.057
InChI：
InChI=1S/C39H69N13O15/c1-8-18(4)29(37(65)52-30(21(7)54)36(64)45-14-26(55)46-20(6)32(60)47-22(38(66)67)10-9-11-43-39(41)42)51-27(56)15-44-33(61)25(16-53)50-34(62)23(12-17(2)3)49-35(63)24(13-28(57)58)48-31(59)19(5)40/h17-25,29-30,53-54H,8-16,40H2,1-7H3,(H,44,61)(H,45,64)(H,46,55)(H,47,60)(H,48,59)(H,49,63)(H,50,62)(H,51,56)(H,52,65)(H,57,58)(H,66,67)(H4,41,42,43)/t18-,19-,20-,21+,22-,23-,24-,25-,29-,30-/m0/s1
InChI key：
QBYXUWBBTUKPID-UDHBTRGOSA-N
SMILES：
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Systematic name (3)：
- Ala-Asp-Leu-Ser-Gly-Ile-Thr-Gly-Ala-Arg-OH
- (2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノプロパンアミド]-3-カルボキシプロパンアミド]-4-メチルペンタンアミド]-3-ヒドロキシプロパンアミド]アセトアミド}-3-メチルペンタンアミド]-3-ヒドロキシブタンアミド]アセトアミド}プロパンアミド]-5-カルバムイミドアミドペンタン酸
- (2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-carboxypropanamido]-4-methylpentanamido]-3-hydroxypropanamido]acetamido}-3-methylpentanamido]-3-hydroxybutanamido]acetamido}propanamido]-5-carbamimidamidopentanoic acid
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