Chem
J-GLOBAL ID：200907076260920100   Nikkaji number：J440.779B

CTAP

CTAP
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： C51H71N13O11S2
Molecular formula furigana： C51-H71-N13-O11-S2
Molecular weight： 1106.330
InChI： InChI=1S/C51H71N13O11S2/c1-26(65)39(42(53)68)62-49(75)41(51(3,4)77)64-48(74)40(27(2)66)63-44(70)35(15-10-20-56-50(54)55)58-46(72)37(23-30-24-57-34-14-9-8-13-32(30)34)60-45(71)36(22-29-16-18-31(67)19-17-29)59-47(73)38(25-76)61-43(69)33(52)21-28-11-6-5-7-12-28/h5-9,11-14,16-19,24,26-27,33,35-41,57,65-67,76-77H,10,15,20-23,25,52H2,1-4H3,(H2,53,68)(H,58,72)(H,59,73)(H,60,71)(H,61,69)(H,62,75)(H,63,70)(H,64,74)(H4,54,55,56)/t26-,27-,33-,35+,36+,37-,38+,39+,40+,41-/m1/s1
InChI key： GLWPFSWTTGSQRY-FGHAYEPSSA-N
SMILES： C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(C)(C)S)C(=O)N
Systematic name  (3)：
  • D-Phe-L-Cys-L-Tyr-D-Trp-L-Arg-L-Thr-L-Pen-L-Thr-NH2
  • (2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-[(2R)-2-アミノ-3-フェニルプロパンアミド]-3-スルファニルプロパンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]-3-(1H-インドール-3-イル)プロパンアミド]-5-カルバムイミドアミド-N-[(1S,2R)-1-{[(1R)-1-{[(1S,2R)-1-カルバモイル-2-ヒドロキシプロピル]カルバモイル}-2-メチル-2-スルファニルプロピル]カルバモイル}-2-ヒドロキシプロピル]ペンタンアミド
  • (2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamido-N-[(1S,2R)-1-{[(1R)-1-{[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamoyl}-2-methyl-2-sulfanylpropyl]carbamoyl}-2-hydroxypropyl]pentanamide
Other name (2)：
  • CTAP-NH2
  • CTAP
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