Irp peptide

Structural Information

Molecular Formula

C₁₅₁H₂₂₉N₄₁O₄₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCC(=O)OC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)OC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC5=CNC=N5)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CC=C(C=C6)O)N)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C151H229N41O46/c1-17-77(10)121(146(232)171-80(13)126(212)188-114(203)68-167-131(217)96(39-30-54-162-151(159)160)173-111(200)65-164-132(218)97(38-27-29-53-153)178-144(230)119(75(6)7)189-138(224)103(56-74(4)5)180-130(216)93(156)60-87-63-163-95-37-25-24-35-90(87)95)191-139(225)104(58-84-31-20-18-21-32-84)181-136(222)101(176-127(213)91(154)36-26-28-52-152)47-51-117(208)237-149(235)81(14)172-124(210)78(11)170-135(221)100(44-48-110(158)199)174-112(201)66-165-134(220)99(177-137(223)102(55-73(2)3)179-129(215)92(155)57-86-40-42-89(198)43-41-86)46-50-118(209)238-150(236)109(71-195)186-143(229)108(70-194)184-145(231)120(76(8)9)190-141(227)106(62-116(206)207)182-142(228)107(69-193)185-148(234)123(83(16)197)192-140(226)105(59-85-33-22-19-23-34-85)183-147(233)122(82(15)196)187-113(202)67-166-133(219)98(45-49-115(204)205)175-125(211)79(12)169-128(214)94(157)61-88-64-161-72-168-88/h18-25,31-35,37,40-43,63-64,72-83,91-94,96-109,119-123,163,193-198H,17,26-30,36,38-39,44-62,65-71,152-157H2,1-16H3,(H2,158,199)(H,161,168)(H,164,218)(H,165,220)(H,166,219)(H,167,217)(H,169,214)(H,170,221)(H,171,232)(H,172,210)(H,173,200)(H,174,201)(H,175,211)(H,176,213)(H,177,223)(H,178,230)(H,179,215)(H,180,216)(H,181,222)(H,182,228)(H,183,233)(H,184,231)(H,185,234)(H,186,229)(H,187,202)(H,189,224)(H,190,227)(H,191,225)(H,192,226)(H,204,205)(H,206,207)(H4,159,160,162)(H,188,203,212)/t77-,78-,79-,80-,81-,82+,83+,91-,92-,93-,94-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,119-,120-,121-,122-,123-/m0/s1

InChIKey

MDXYQVPFSHFPHS-CVYXXLPWSA-N

Compound name

(4S)-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(4S)-5-[[2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[(4S)-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoyl]oxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]oxy-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]propanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16132173