Ac-pgggdmrdnw rselykykvv kieplgvapt ka-nh2

Structural Information

Molecular Formula

C₁₆₃H₂₅₉N₄₅O₄₆S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]7CCCN7C(=O)C

InChI

InChI=1S/C163H259N45O46S/c1-18-87(12)132(158(251)192-107(54-56-126(221)222)161(254)208-66-33-43-118(208)153(246)199-108(68-82(2)3)135(228)179-80-124(218)201-129(84(6)7)155(248)182-89(14)160(253)207-65-32-44-119(207)154(247)205-133(90(15)210)159(252)191-99(36-21-25-58-164)136(229)181-88(13)134(169)227)204-143(236)102(39-24-28-61-167)190-156(249)130(85(8)9)203-157(250)131(86(10)11)202-142(235)101(38-23-27-60-166)186-145(238)110(70-92-45-49-95(212)50-46-92)194-137(230)100(37-22-26-59-165)185-146(239)111(71-93-47-51-96(213)52-48-93)195-144(237)109(69-83(4)5)193-140(233)105(53-55-125(219)220)188-151(244)116(81-209)200-139(232)104(41-30-63-175-163(172)173)187-147(240)112(72-94-76-176-98-35-20-19-34-97(94)98)196-148(241)113(73-120(168)214)197-150(243)115(75-128(225)226)198-138(231)103(40-29-62-174-162(170)171)184-141(234)106(57-67-255-17)189-149(242)114(74-127(223)224)183-123(217)79-178-121(215)77-177-122(216)78-180-152(245)117-42-31-64-206(117)91(16)211/h19-20,34-35,45-52,76,82-90,99-119,129-133,176,209-210,212-213H,18,21-33,36-44,53-75,77-81,164-167H2,1-17H3,(H2,168,214)(H2,169,227)(H,177,216)(H,178,215)(H,179,228)(H,180,245)(H,181,229)(H,182,248)(H,183,217)(H,184,234)(H,185,239)(H,186,238)(H,187,240)(H,188,244)(H,189,242)(H,190,249)(H,191,252)(H,192,251)(H,193,233)(H,194,230)(H,195,237)(H,196,241)(H,197,243)(H,198,231)(H,199,246)(H,200,232)(H,201,218)(H,202,235)(H,203,250)(H,204,236)(H,205,247)(H,219,220)(H,221,222)(H,223,224)(H,225,226)(H4,170,171,174)(H4,172,173,175)/t87-,88-,89-,90+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,129-,130-,131-,132-,133-/m0/s1

InChIKey

AOOCNVPBWAXERB-PTUCFXKISA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S,3R)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16204875