Chebi:78425

Structural Information

Molecular Formula

C₁₄₈H₂₂₃N₃₉O₄₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=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](CC5=CC=CC=C5)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC6=CNC=N6)N

InChI

InChI=1S/C148H223N39O46/c1-16-76(10)119(144(229)165-79(13)124(209)173-103(59-85-62-157-90-35-24-23-34-88(85)90)134(219)175-99(55-73(4)5)135(220)184-117(74(6)7)142(227)172-91(36-25-27-51-149)126(211)159-66-111(197)168-97(147(232)233)38-29-53-156-148(153)154)186-136(221)101(56-82-30-19-17-20-31-82)176-131(216)96(46-50-115(203)204)171-130(215)92(37-26-28-52-150)169-123(208)78(12)163-122(207)77(11)164-129(214)95(43-47-108(152)194)167-110(196)65-160-128(213)94(45-49-114(201)202)170-132(217)98(54-72(2)3)174-133(218)100(58-84-39-41-87(193)42-40-84)177-139(224)105(68-188)180-141(226)107(70-190)181-143(228)118(75(8)9)185-138(223)104(61-116(205)206)178-140(225)106(69-189)182-146(231)121(81(15)192)187-137(222)102(57-83-32-21-18-22-33-83)179-145(230)120(80(14)191)183-112(198)67-161-127(212)93(44-48-113(199)200)166-109(195)64-158-125(210)89(151)60-86-63-155-71-162-86/h17-24,30-35,39-42,62-63,71-81,89,91-107,117-121,157,188-193H,16,25-29,36-38,43-61,64-70,149-151H2,1-15H3,(H2,152,194)(H,155,162)(H,158,210)(H,159,211)(H,160,213)(H,161,212)(H,163,207)(H,164,214)(H,165,229)(H,166,195)(H,167,196)(H,168,197)(H,169,208)(H,170,217)(H,171,215)(H,172,227)(H,173,209)(H,174,218)(H,175,219)(H,176,216)(H,177,224)(H,178,225)(H,179,230)(H,180,226)(H,181,228)(H,182,231)(H,183,198)(H,184,220)(H,185,223)(H,186,221)(H,187,222)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,232,233)(H4,153,154,156)/t76-,77-,78-,79-,80+,81+,89-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,117-,118-,119-,120-,121-/m0/s1

InChIKey

OGWAVGNOAMXIIM-VTAHJYCESA-N

Compound name

(4S)-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[2-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-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-[[2-[[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 122173812