V3 mal

Structural Information

Molecular Formula

C₁₃₅H₂₁₂N₄₆O₄₀S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)N3CCC[C@H]3C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](CS)C(=O)O)NC(=O)CNC(=O)[C@H](CCNC(=N)N)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C135H212N46O40S/c1-16-63(8)102(174-97(192)56-153-111(200)79(36-40-149-132(140)141)163-115(204)82(39-43-152-135(146)147)166-129(218)106(69(14)183)178-121(210)88(51-94(139)189)169-110(199)77(136)50-93(138)188)126(215)172-87(49-74-53-148-60-158-74)119(208)170-84(46-71-23-20-19-21-24-71)112(201)157-58-99(194)181-44-22-25-91(181)123(212)154-54-95(190)161-78(34-35-92(137)187)113(202)159-66(11)108(197)167-83(45-61(4)5)117(206)171-86(48-73-28-32-76(186)33-29-73)120(209)179-107(70(15)184)130(219)180-105(68(13)182)125(214)156-57-98(193)175-103(64(9)17-2)128(217)176-101(62(6)7)124(213)155-55-96(191)162-89(52-100(195)196)122(211)177-104(65(10)18-3)127(216)165-81(38-42-151-134(144)145)116(205)164-80(37-41-150-133(142)143)114(203)160-67(12)109(198)168-85(47-72-26-30-75(185)31-27-72)118(207)173-90(59-222)131(220)221/h19-21,23-24,26-33,53,60-70,77-91,101-107,182-186,222H,16-18,22,25,34-52,54-59,136H2,1-15H3,(H2,137,187)(H2,138,188)(H2,139,189)(H,148,158)(H,153,200)(H,154,212)(H,155,213)(H,156,214)(H,157,201)(H,159,202)(H,160,203)(H,161,190)(H,162,191)(H,163,204)(H,164,205)(H,165,216)(H,166,218)(H,167,197)(H,168,198)(H,169,199)(H,170,208)(H,171,206)(H,172,215)(H,173,207)(H,174,192)(H,175,193)(H,176,217)(H,177,211)(H,178,210)(H,179,209)(H,180,219)(H,195,196)(H,220,221)(H4,140,141,149)(H4,142,143,150)(H4,144,145,151)(H4,146,147,152)/t63-,64-,65-,66-,67-,68+,69+,70+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,101-,102-,103-,104-,105-,106-,107-/m0/s1

InChIKey

LEIPCSGDDOYAFR-ZMDWBFRJSA-N

Compound name

(3S)-3-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-4-carbamimidamidobutanoyl]amino]-4-carbamimidamidobutanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-4-[[(2S,3S)-1-[[(2S)-4-carbamimidamido-1-[[(2S)-4-carbamimidamido-1-[[(2S)-1-[[(2S)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16186426