Chem
J-GLOBAL ID:200907081303105417   Nikkaji number:J2.215.612H

Asn-Gly-Gly-Pro-Cys-Val-Phe-Ile-Lys-Arg-Val-Ser-OH

Asn-Gly-Gly-Pro-Cys-Val-Phe-Ile-Lys-Arg-Val-Ser-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: C56H93N17O15S
Molecular formula furigana: C56-H93-N17-O15-S
Molecular weight: 1276.520
InChI: InChI=1S/C56H93N17O15S/c1-7-31(6)45(54(86)66-34(17-11-12-20-57)47(79)65-35(18-13-21-62-56(60)61)48(80)70-44(30(4)5)53(85)68-37(27-74)55(87)88)72-49(81)36(23-32-15-9-8-10-16-32)67-52(84)43(29(2)3)71-50(82)38(28-89)69-51(83)39-19-14-22-73(39)42(77)26-63-41(76)25-64-46(78)33(58)24-40(59)75/h8-10,15-16,29-31,33-39,43-45,74,89H,7,11-14,17-28,57-58H2,1-6H3,(H2,59,75)(H,63,76)(H,64,78)(H,65,79)(H,66,86)(H,67,84)(H,68,85)(H,69,83)(H,70,80)(H,71,82)(H,72,81)(H,87,88)(H4,60,61,62)/t31-,33-,34-,35-,36-,37-,38-,39-,43-,44-,45-/m0/s1
InChI key: QLENZOLWBPHIPW-LWIITVAQSA-N
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@@H](N)CC(=O)N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)O
Systematic name  (3):
  • Asn-Gly-Gly-Pro-Cys-Val-Phe-Ile-Lys-Arg-Val-Ser-OH
  • (2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-アミノ-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2R)-2-{[(2S)-1-(2-{2-[(2S)-2-アミノ-3-カルバモイルプロパンアミド]アセトアミド}アセチル)ピロリジン-2-イル]ホルムアミド}-3-スルファニルプロパンアミド]-3-メチルブタンアミド]-3-フェニルプロパンアミド]-3-メチルペンタンアミド]ヘキサンアミド]-5-カルバムイミドアミドペンタンアミド]-3-メチルブタンアミド]-3-ヒドロキシプロパン酸
  • (2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2R)-2-{[(2S)-1-(2-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetamido}acetyl)pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-methylbutanamido]-3-phenylpropanamido]-3-methylpentanamido]hexanamido]-5-carbamimidamidopentanamido]-3-methylbutanamido]-3-hydroxypropanoic acid
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