Chem
J-GLOBAL ID：200907048546572962   Nikkaji number：J1.376.244I

D-Phe-L-Cys(1)-L-Tyr-D-Trp-L-Arg-L-Thr-L-Pen(1)-L-Thr-NH2

D-Phe-L-Cys(1)-L-Tyr-D-Trp-L-Arg-L-Thr-L-Pen(1)-L-Thr-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： C51H69N13O11S2
Molecular formula furigana： C51-H69-N13-O11-S2
Molecular weight： 1104.310
InChI： InChI=1S/C51H69N13O11S2/c1-26(65)39(42(53)68)62-49(75)41-51(3,4)77-76-25-38(61-43(69)33(52)21-28-11-6-5-7-12-28)47(73)59-36(22-29-16-18-31(67)19-17-29)45(71)60-37(23-30-24-57-34-14-9-8-13-32(30)34)46(72)58-35(15-10-20-56-50(54)55)44(70)63-40(27(2)66)48(74)64-41/h5-9,11-14,16-19,24,26-27,33,35-41,57,65-67H,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： OFMQLVRLOGHAJI-SECZBIRXSA-N
SMILES： C[C@@H](O)[C@H](NC(=O)C1NC(=O)[C@@H](NC(=O)C(CCCNC(=N)N)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  (3)：
  • D-Phe-L-Cys(1)-L-Tyr-D-Trp-L-Arg-L-Thr-L-Pen(1)-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-カルバムイミドアミドプロピル)-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-carbamimidamidopropyl)-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
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM