Chem
J-GLOBAL ID:200907026047036371   Nikkaji number:J630.742F

L-Tyr-Gly-Gly-L-Phe-L-Cys(1)-L-Arg-L-Arg-L-Ile-L-Arg-L-Pro-D-Cys(1)-NH2

L-Tyr-Gly-Gly-L-Phe-L-Cys(1)-L-Arg-L-Arg-L-Ile-L-Arg-L-Pro-D-Cys(1)-NH2
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: C57H89N21O12S2
Molecular formula furigana: C57-H89-N21-O12-S2
Molecular weight: 1324.590
InChI: InChI=1S/C57H89N21O12S2/c1-3-31(2)45-53(89)74-38(15-9-23-68-57(64)65)54(90)78-24-10-16-42(78)52(88)75-40(46(59)82)29-91-92-30-41(51(87)73-36(13-7-21-66-55(60)61)48(84)72-37(49(85)77-45)14-8-22-67-56(62)63)76-50(86)39(26-32-11-5-4-6-12-32)71-44(81)28-69-43(80)27-70-47(83)35(58)25-33-17-19-34(79)20-18-33/h4-6,11-12,17-20,31,35-42,45,79H,3,7-10,13-16,21-30,58H2,1-2H3,(H2,59,82)(H,69,80)(H,70,83)(H,71,81)(H,72,84)(H,73,87)(H,74,89)(H,75,88)(H,76,86)(H,77,85)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t31-,35-,36?,37?,38-,39-,40+,41-,42-,45-/m0/s1
InChI key: NTACCAONUHCRGG-IWHAFIMJSA-N
SMILES: CC[C@H](C)[C@@H]1NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Systematic name  (3):
  • L-Tyr-Gly-Gly-L-Phe-L-Cys(1)-L-Arg-L-Arg-L-Ile-L-Arg-L-Pro-D-Cys(1)-NH2
  • (3S,8R,11S,14S,17S,20S,25aS)-8-[(2S)-2-(2-{2-[(2S)-2-アミノ-3-(4-ヒドロキシフェニル)プロパンアミド]アセトアミド}アセトアミド)-3-フェニルプロパンアミド]-17-[(2S)-ブタン-2-イル]-11,14,20-トリス(3-カルバムイミドアミドプロピル)-1,9,12,15,18,21-ヘキサオキソ-ドコサヒドロ-1H-ピロロ[2,1-g]1,2-ジチア-5,8,11,14,17,20-ヘキサアザシクロトリコサン-3-カルボキサミド
  • (3S,8R,11S,14S,17S,20S,25aS)-8-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]-17-[(2S)-butan-2-yl]-11,14,20-tris(3-carbamimidamidopropyl)-1,9,12,15,18,21-hexaoxo-docosahydro-1H-pyrrolo[2,1-g]1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosane-3-carboxamide
Thsaurus map:

Return to Previous Page