V3 af. cons.

Structural Information

Molecular Formula

C₁₄₈H₂₃₅N₅₁O₄₅S

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)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](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)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](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC4=CN=CN4)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@H](CCC(=O)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)NC(=O)[C@H](CC5=CC=C(C=C5)O)N

InChI

InChI=1S/C148H235N51O45S/c1-15-67(5)110(191-127(226)91(46-51-168-148(162)163)184-141(240)115(74(12)201)195-128(227)90(45-50-167-147(160)161)181-123(222)87(39-42-102(153)208)180-125(224)89(44-49-166-146(158)159)183-142(241)116(75(13)202)196-133(232)96(58-104(155)210)189-131(230)95(57-103(154)209)187-120(219)83(150)53-78-29-33-81(204)34-30-78)137(236)172-64-108(214)199-52-24-28-99(199)135(234)169-61-105(211)177-85(37-40-100(151)206)121(220)174-71(9)118(217)185-92(54-77-25-20-19-21-26-77)129(228)188-93(55-79-31-35-82(205)36-32-79)132(231)197-117(76(14)203)143(242)198-114(73(11)200)138(237)171-62-106(212)176-84(27-22-23-47-149)126(225)192-113(70(8)18-4)140(239)194-111(68(6)16-2)136(235)170-63-107(213)178-97(59-109(215)216)134(233)193-112(69(7)17-3)139(238)182-88(43-48-165-145(156)157)124(223)179-86(38-41-101(152)207)122(221)175-72(10)119(218)186-94(56-80-60-164-66-173-80)130(229)190-98(65-245)144(243)244/h19-21,25-26,29-36,60,66-76,83-99,110-117,200-205,245H,15-18,22-24,27-28,37-59,61-65,149-150H2,1-14H3,(H2,151,206)(H2,152,207)(H2,153,208)(H2,154,209)(H2,155,210)(H,164,173)(H,169,234)(H,170,235)(H,171,237)(H,172,236)(H,174,220)(H,175,221)(H,176,212)(H,177,211)(H,178,213)(H,179,223)(H,180,224)(H,181,222)(H,182,238)(H,183,241)(H,184,240)(H,185,217)(H,186,218)(H,187,219)(H,188,228)(H,189,230)(H,190,229)(H,191,226)(H,192,225)(H,193,233)(H,194,239)(H,195,227)(H,196,232)(H,197,231)(H,198,242)(H,215,216)(H,243,244)(H4,156,157,165)(H4,158,159,166)(H4,160,161,167)(H4,162,163,168)/t67-,68-,69-,70-,71-,72-,73+,74+,75+,76+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,110-,111-,112-,113-,114-,115-,116-,117-/m0/s1

InChIKey

UQSAMLSCPJWHMN-ZANDJLDQSA-N

Compound name

(3S)-3-[[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-1-[2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-4-carbamimidamidobutanoyl]amino]-5-oxopentanoyl]amino]-4-carbamimidamidobutanoyl]amino]-3-hydroxybutanoyl]amino]-4-carbamimidamidobutanoyl]amino]-3-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-[[(2S,3S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carbamimidamido-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16186431