Neuromedin U (rat) acetate

Iupac Name

(2R,5S,8R,11R,14R)-2-amino-14-(((S)-1-(((R)-5-amino-1-((2-((S)-2-(((S)-1-(((S)-1-((R)-2-(((6S,9S,12S,15S,18S,27S)-1-amino-9,15,18-tribenzyl-6-((R)-2-(((R)-1-(((S)-1,4-diamino-1,4-dioxobutan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-28-hydroxy-1-imino-12-isobutyl-8,11,14,17,20,23,26-heptaoxo-2,7,10,13,16,19,22,25-octaazaoctacosan-27-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)carbamoyl)pyrrolidin-1-yl)-2-oxoethyl)amino)-1,5-dioxopentan-2-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)carbamoyl)-11-(2-amino-2-oxoethyl)-5-(4-aminobutyl)-1-(4-hydroxyphenyl)-8-isopropyl-3,6,9,12-tetraoxo-4,7,10,13-tetraazaheptadecan-17-oic acid--acetic acid (1/1)

Inchi Code

1S/C124H180N34O31.C2H4O2/c1-66(2)54-84(110(177)150-86(57-71-26-13-9-14-27-71)113(180)146-82(32-20-50-136-124(133)134)122(189)158-53-23-35-93(158)116(183)145-79(31-19-49-135-123(131)132)107(174)147-83(103(130)170)60-95(128)163)148-114(181)87(58-72-28-15-10-16-29-72)151-111(178)85(56-70-24-11-8-12-25-70)141-98(166)63-137-97(165)62-138-106(173)90(65-159)153-117(184)92-34-22-52-157(92)121(188)69(7)140-119(186)101(67(3)4)155-118(185)91-33-21-51-156(91)99(167)64-139-105(172)80(44-46-94(127)162)143-112(179)88(59-74-38-42-76(161)43-39-74)149-108(175)81(45-47-100(168)169)144-115(182)89(61-96(129)164)152-120(187)102(68(5)6)154-109(176)78(30-17-18-48-125)142-104(171)77(126)55-73-36-40-75(160)41-37-73;1-2(3)4/h8-16,24-29,36-43,66-69,77-93,101-102,159-161H,17-23,30-35,44-65,125-126H2,1-7H3,(H2,127,162)(H2,128,163)(H2,129,164)(H2,130,170)(H,137,165)(H,138,173)(H,139,172)(H,140,186)(H,141,166)(H,142,171)(H,143,179)(H,144,182)(H,145,183)(H,146,180)(H,147,174)(H,148,181)(H,149,175)(H,150,177)(H,151,178)(H,152,187)(H,153,184)(H,154,176)(H,155,185)(H,168,169)(H4,131,132,135)(H4,133,134,136);1H3,(H,3,4)/t69-,77+,78-,79+,80+,81+,82-,83-,84-,85-,86-,87-,88-,89+,90-,91-,92+,93+,101-,102+;/m0./s1

InChI key

OOGRUCGFNMUNAD-KEIRFZFYSA-N