Schembl30744286

Structural Information

Molecular Formula

C₁₆₃H₂₇₅N₄₉O₄₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)C

InChI

InChI=1S/C163H275N49O42/c1-31-84(22)128(158(251)195-97(42-36-37-57-164)141(234)191-102(47-53-119(167)217)143(236)197-107(61-76(6)7)149(242)193-100(45-51-117(165)215)139(232)183-87(25)133(226)188-99(44-39-59-179-163(175)176)146(239)211-130(86(24)33-3)160(253)205-106(60-75(4)5)147(240)186-89(27)135(228)208-126(82(18)19)132(172)225)207-124(222)73-181-137(230)113(67-93-71-180-96-41-35-34-40-95(93)96)206-157(250)127(83(20)21)209-161(254)131(91(29)213)212-156(249)112(66-81(16)17)198-144(237)104(49-55-121(169)219)194-150(243)109(63-78(10)11)200-151(244)110(64-79(12)13)201-153(246)114(68-94-72-177-74-182-94)203-145(238)103(48-54-120(168)218)192-142(235)101(46-52-118(166)216)189-134(227)88(26)184-140(233)105(50-56-125(223)224)196-159(252)129(85(23)32-2)210-136(229)90(28)185-138(231)98(43-38-58-178-162(173)174)190-148(241)108(62-77(8)9)199-152(245)111(65-80(14)15)202-155(248)116(70-123(171)221)204-154(247)115(69-122(170)220)187-92(30)214/h34-35,40-41,71-72,74-91,97-116,126-131,180,213H,31-33,36-39,42-70,73,164H2,1-30H3,(H2,165,215)(H2,166,216)(H2,167,217)(H2,168,218)(H2,169,219)(H2,170,220)(H2,171,221)(H2,172,225)(H,177,182)(H,181,230)(H,183,232)(H,184,233)(H,185,231)(H,186,240)(H,187,214)(H,188,226)(H,189,227)(H,190,241)(H,191,234)(H,192,235)(H,193,242)(H,194,243)(H,195,251)(H,196,252)(H,197,236)(H,198,237)(H,199,245)(H,200,244)(H,201,246)(H,202,248)(H,203,238)(H,204,247)(H,205,253)(H,206,250)(H,207,222)(H,208,228)(H,209,254)(H,210,229)(H,211,239)(H,212,249)(H,223,224)(H4,173,174,178)(H4,175,176,179)/t84-,85-,86-,87-,88-,89-,90-,91+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,126-,127-,128-,129-,130-,131-/m0/s1

InChIKey

PQUJOMVSJPNYID-FZVDXBDUSA-N

Compound name

(4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16131788