Chem
J-GLOBAL ID:200907038042095726   Nikkaji number:J1.949.325C

L-Ser-L-Gln-Gly-L-Ile-L-Val-Gly-L-Ile-L-Arg-Gly-L-Val-L-Phe-L-Ser-L-Ala-L-Lys-OH

L-Ser-L-Gln-Gly-L-Ile-L-Val-Gly-L-Ile-L-Arg-Gly-L-Val-L-Phe-L-Ser-L-Ala-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: C63H107N19O18
Molecular formula furigana: C63-H107-N19-O18
Molecular weight: 1418.664
InChI: InChI=1S/C63H107N19O18/c1-10-34(7)50(80-47(88)29-72-58(95)48(32(3)4)82-61(98)51(35(8)11-2)81-46(87)28-71-55(92)40(22-23-44(66)85)74-53(90)38(65)30-83)60(97)75-39(21-17-25-69-63(67)68)54(91)70-27-45(86)79-49(33(5)6)59(96)77-42(26-37-18-13-12-14-19-37)56(93)78-43(31-84)57(94)73-36(9)52(89)76-41(62(99)100)20-15-16-24-64/h12-14,18-19,32-36,38-43,48-51,83-84H,10-11,15-17,20-31,64-65H2,1-9H3,(H2,66,85)(H,70,91)(H,71,92)(H,72,95)(H,73,94)(H,74,90)(H,75,97)(H,76,89)(H,77,96)(H,78,93)(H,79,86)(H,80,88)(H,81,87)(H,82,98)(H,99,100)(H4,67,68,69)/t34-,35-,36-,38-,39-,40-,41-,42-,43-,48-,49-,50-,51-/m0/s1
InChI key: DXMDLTCEDIPFBR-UDBARCHVSA-N
SMILES: CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O
Systematic name  (3):
  • L-Ser-L-Gln-Gly-L-Ile-L-Val-Gly-L-Ile-L-Arg-Gly-L-Val-L-Phe-L-Ser-L-Ala-L-Lys-OH
  • (2S)-6-アミノ-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S)-2-アミノ-3-ヒドロキシプロパンアミド]-4-カルバモイルブタンアミド]アセトアミド}-3-メチルペンタンアミド]-3-メチルブタンアミド]アセトアミド}-3-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]アセトアミド}-3-メチルブタンアミド]-3-フェニルプロパンアミド]-3-ヒドロキシプロパンアミド]プロパンアミド]ヘキサン酸
  • (2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carbamoylbutanamido]acetamido}-3-methylpentanamido]-3-methylbutanamido]acetamido}-3-methylpentanamido]-5-carbamimidamidopentanamido]acetamido}-3-methylbutanamido]-3-phenylpropanamido]-3-hydroxypropanamido]propanamido]hexanoic acid
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