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Substance Name: Ro 25-1553
RN: 159427-08-4
InChIKey: MHCMFKNGHCJIDZ-RQYGEWOISA-N

Note

  • A cyclic peptide analog and agonist of vasoactive intestinal peptide; a VPAC(2) receptor agonist.

Molecular Formula

  • C160-H258-N46-O46

Molecular Weight

  • 3562.07
 
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Names and Synonyms

Results Name

  • Ro 25-1553

Synonyms

  • Ro 25-1553
  • Vasoactive intestinal octacosapeptide (pig), N-acetyl-8-L-glutamic acid-12-L-lysine-17-L-norleucine-19-L-alanine-25-L-aspartic acid-26-L-leucine-27-L-lysine-28-L-lysine-28a-glycine-28b-glycine-28c-L-threoninamide-, cyclic (25-21)-peptide

Systematic Name

  • L-Threoninamide, N-acetyl-L-histidyl-L-seryl-L-alpha-aspartyl-L-alanyl-L-valyl-L-phenylalanyl-L-threonyl-L-alpha-glutamyl-L-asparaginyl-L-tyrosyl-L-threonyl-L-lysyl-L-leucyl-L-arginyl-L-lysyl-L-glutaminyl-L-norleucyl-L-alanyl-L-alanyl-L-lysyl-L-lysyl-L-tyrosyl-L-leucyl-L-asparaginyl-L-alpha-aspartyl-L-leucyl-L-lysyl-L-lysylglycylglycyl-, (25-21)-lactam

Registry Numbers

CAS Registry Number

  • 159427-08-4

Other Registry Numbers

  • 159628-71-4
  • 159704-78-6

System Generated Number

  • 0159427084

Structure Descriptors

InChI

1S/C160H258N46O46/c1-17-18-37-98(134(226)180-84(10)131(223)179-85(11)132(224)183-99(38-22-28-57-161)135(227)187-102(41-25-31-60-164)139(231)196-111(68-92-45-49-95(212)50-46-92)148(240)195-110(66-82(6)7)147(239)199-116(73-122(169)217)153(245)206-158(250)128(87(13)208)203-124(219)77-176-123(218)76-177-133(225)97-43-27-33-62-174-107(71-120(167)215)143(235)194-109(65-81(4)5)146(238)188-101(136(228)184-97)40-24-30-59-163)185-141(233)105(53-55-119(166)214)190-137(229)100(39-23-29-58-162)186-138(230)104(44-34-63-175-160(171)172)189-145(237)108(64-80(2)3)193-140(232)103(42-26-32-61-165)191-156(248)129(88(14)209)204-151(243)112(69-93-47-51-96(213)52-48-93)197-150(242)115(72-121(168)216)198-142(234)106(192-157(249)130(89(15)210)205-152(244)113(67-91-35-20-19-21-36-91)201-155(247)127(170)83(8)9)54-56-126(222)252-159(251)86(12)181-144(236)117(74-125(220)221)200-154(246)118(78-207)202-149(241)114(182-90(16)211)70-94-75-173-79-178-94/h19-21,35-36,45-52,75,79-89,97-118,127-130,174,207-210,212-213H,17-18,22-34,37-44,53-74,76-78,161-165,170H2,1-16H3,(H2,166,214)(H2,167,215)(H2,168,216)(H2,169,217)(H,173,178)(H,176,218)(H,177,225)(H,179,223)(H,180,226)(H,181,236)(H,182,211)(H,183,224)(H,184,228)(H,185,233)(H,186,230)(H,187,227)(H,188,238)(H,189,237)(H,190,229)(H,191,248)(H,192,249)(H,193,232)(H,194,235)(H,195,240)(H,196,231)(H,197,242)(H,198,234)(H,199,239)(H,200,246)(H,201,247)(H,202,241)(H,203,219)(H,204,243)(H,205,244)(H,220,221)(H4,171,172,175)(H,206,245,250)/t84-,85-,86-,87+,88+,89+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,127-,128-,129-,130-/m0/s1

InChIKey

MHCMFKNGHCJIDZ-RQYGEWOISA-N

Smiles

C([C@@H](NC(CNC(CNC([C@H]1NC([C@@H](NC([C@@H](NC([C@@H](NCCCC1)CC(=O)N)=O)CC(C)C)=O)CCCCN)=O)=O)=O)=O)[C@@H](C)O)(=O)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)C(C)C)=O)Cc1ccccc1)=O)[C@@H](C)O)=O)CCC(=O)OC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(=O)C)Cc1c[nH]cn1)=O)CO)=O)CC(=O)O)=O)C)=O)=O)CC(=O)N)=O)Cc1ccc(O)cc1)=O)[C@@H](C)O)=O)CCCCN)=O)CC(C)C)=O)CCCNC(=N)N)=O)CCCCN)=O)CCC(=O)N)=O)CCCC)=O)C)=O)C)=O)CCCCN)=O)CCCCN)=O)Cc1ccc(O)cc1)=O)CC(C)C)=O)CC(=O)N)=O