Chem
J-GLOBAL ID：200907091646837397   Nikkaji number：J261.778A

CTOP

CTOP
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： C50H67N11O11S2
Molecular formula furigana： C50-H67-N11-O11-S2
Molecular weight： 1062.270
InChI： InChI=1S/C50H67N11O11S2/c1-26(62)39(42(53)65)59-49(72)41-50(3,4)74-73-25-38(58-43(66)33(52)21-28-11-6-5-7-12-28)47(70)56-36(22-29-16-18-31(64)19-17-29)45(68)57-37(23-30-24-54-34-14-9-8-13-32(30)34)46(69)55-35(15-10-20-51)44(67)60-40(27(2)63)48(71)61-41/h5-9,11-14,16-19,24,26-27,33,35-41,54,62-64H,10,15,20-23,25,51-52H2,1-4H3,(H2,53,65)(H,55,69)(H,56,70)(H,57,68)(H,58,66)(H,59,72)(H,60,67)(H,61,71)/t26-,27-,33-,35?,36?,37-,38?,39+,40+,41?/m1/s1
InChI key： PZWWYAHWHHNCHO-SECZBIRXSA-N
SMILES： C[C@@H](O)[C@H](NC(=O)C1NC(=O)[C@@H](NC(=O)C(CCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N
Systematic name  (4)：
  • D-Phe-L-Cys(1)-L-Tyr-D-Trp-L-Orn-L-Thr-L-Pen(1)-L-Thr-NH2
  • D-Phe-L-Cys(1)-L-Tyr-D-Trp-L-Orn-L-Thr-3-メルカプト(1)-L-Val-L-Thr-NH2
  • (2S,3R)-2-{[(4R,7S,10S,13R,16S,19R)-19-[(2R)-2-アミノ-3-フェニルプロパンアミド]-10-(3-アミノプロピル)-7-[(1R)-1-ヒドロキシエチル]-16-[(4-ヒドロキシフェニル)メチル]-13-[(1H-インドール-3-イル)メチル]-3,3-ジメチル-6,9,12,15,18-ペンタオキソ-1,2-ジチア-5,8,11,14,17-ペンタアザシクロイコサン-4-イル]ホルムアミド}-3-ヒドロキシブタンアミド
  • (2S,3R)-2-{[(4R,7S,10S,13R,16S,19R)-19-[(2R)-2-amino-3-phenylpropanamido]-10-(3-aminopropyl)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-3,3-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}-3-hydroxybutanamide
Other name (2)：
  • D-Phe-L-Cys(1)-L-Tyr-D-Trp-L-Orn-L-Thr-3-Mercapto(1)-L-Val-L-Thr-NH2
  • CTOP
CAS registry number： 103429-31-8
Application (2)：
somatostatin ,  narcotic antagonist
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