neuropeptide W-23, Agonist of NPBW1 receptor;Agonist of NPBW2 receptor Cas#: 383415-89-2
Compound CID: 90472277 IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-4-methylpentanoic acid
SMILES: CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NCC(=O)NC(CC(C)C)C(=O)O)NC(=O)CNC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C(C)O)NC(=O)C(CC1=CNC=N1)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCCNC(=N)N)NC(=O)C3CCCN3C(=O)C(CO)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(CC4=CNC=N4)NC(=O)C(CCCCN)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CC6=CNC7=CC=CC=C76)N
InChIKey: MVEYTZGYDLTNKF-IXEUOKQQSA-N
InChI: InChI=1S/C119H183N35O29S/c1-60(2)42-82(106(171)145-83(43-61(3)4)107(172)142-81(36-41-184-14)101(166)131-54-94(162)140-88(117(182)183)44-62(5)6)139-93(161)53-132-102(167)89(56-155)149-98(163)65(11)136-103(168)78(25-19-38-128-118(122)123)138-92(160)55-133-113(178)95(63(7)8)152-115(180)97(67(13)157)153-111(176)87(49-72-52-127-59-135-72)148-109(174)85(46-69-30-34-74(159)35-31-69)146-105(170)80(26-20-39-129-119(124)125)143-112(177)91-27-21-40-154(91)116(181)90(57-156)150-99(164)66(12)137-114(179)96(64(9)10)151-110(175)86(48-71-51-126-58-134-71)147-104(169)79(24-17-18-37-120)141-108(173)84(45-68-28-32-73(158)33-29-68)144-100(165)76(121)47-70-50-130-77-23-16-15-22-75(70)77/h15-16,22-23,28-35,50-52,58-67,76,78-91,95-97,130,155-159H,17-21,24-27,36-49,53-57,120-121H2,1-14H3,(H,126,134)(H,127,135)(H,131,166)(H,132,167)(H,133,178)(H,136,168)(H,137,179)(H,138,160)(H,139,161)(H,140,162)(H,141,173)(H,142,172)(H,143,177)(H,144,165)(H,145,171)(H,146,170)(H,147,169)(H,148,174)(H,149,163)(H,150,164)(H,151,175)(H,152,180)(H,153,176)(H,182,183)(H4,122,123,128)(H4,124,125,129)/t65-,66-,67+,76-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,95-,96-,97-/m0/s1