CAS Number
Molecular Formula
C153H224N42O50S.4C2HF3O2
Product format
Neat
Molecular Weight
3483.78 4*114.02
API Family
Synonyms
1037751-81-7; orb1941221
Iupac Name
(3S)-3-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S, 3R)-2-[[(2S)-2-[[(2S, 3R)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S, 2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1 and 5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
InChI
InChI=1S/C153H224N42O50S/c1-72(2)52-97(133(226)175-96(47-51-246-11)132(225)184-107(63-119(215)216)143(236)195-123(78(10)202)151(244)245)178-137(230)103(58-83-64-166-89-29-19-18-28-87(83)89)182-131(224)95(43-46-114(158)207)176-148(241)120(74(5)6)193-141(234)101(54-79-24-14-12-15-25-79)181-138(231)104(60-116(209)210)183-130(223)94(42-45-113(157)206)170-124(217)75(7)169-127(220)91(31-22-49-164-152(159)160)171-128(221)92(32-23-50-165-153(161)162)173-146(239)110(69-198)190-140(233)106(62-118(213)214)185-134(227)98(53-73(3)4)177-135(228)99(56-81-33-37-85(203)38-34-81)179-129(222)90(30-20-21-48-154)172-145(238)109(68-197)189-136(229)100(57-82-35-39-86(204)40-36-82)180-139(232)105(61-117(211)212)186-147(240)111(70-199)191-150(243)122(77(9)201)194-142(235)102(55-80-26-16-13-17-27-80)187-149(242)121(76(8)200)192-115(208)66-167-126(219)93(41-44-112(156)205)174-144(237)108(67-196)188-125(218)88(155)59-84-65-163-71-168-84/h12-19,24-29,33-40,64-65,71-78,88,90-111,120-123,166,196-204H,20-23,30-32,41-63,66-70,154-155H2,1-11H3,(H2,156,205)(H2,157,206)(H2,158,207)(H,163,168)(H,167,219)(H,169,220)(H,170,217)(H,171,221)(H,172,238)(H,173,239)(H,174,237)(H,175,226)(H,176,241)(H,177,228)(H,178,230)(H,179,222)(H,180,232)(H,181,231)(H,182,224)(H,183,223)(H,184,225)(H,185,227)(H,186,240)(H,187,242)(H,188,218)(H,189,229)(H,190,233)(H,191,243)(H,192,208)(H,193,234)(H,194,235)(H,195,236)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,244,245)(H4,159,160,164)(H4,161,162,165)/t75-,76+,77+,78+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,120-,121-,122-,123-/m0/s1
