Sj-2176-n656a

Structural Information

Molecular Formula

C₁₆₄H₂₅₁N₄₇O₆₃S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)O)NC(=O)C

InChI

InChI=1S/C164H251N47O63S/c1-14-74(8)129(159(269)195-97(39-50-126(237)238)143(253)191-96(38-49-125(235)236)145(255)205-108(67-212)156(266)194-93(33-44-115(169)221)144(254)200-104(59-116(170)222)149(259)193-92(32-43-114(168)220)140(250)188-91(31-42-113(167)219)139(249)190-95(37-48-124(233)234)142(252)185-86(24-19-20-52-165)135(245)181-77(11)133(243)184-94(36-47-123(231)232)141(251)189-90(30-41-112(166)218)138(248)187-88(34-45-121(227)228)134(244)179-65-119(225)178-66-120(226)183-111(70-275)163(273)274)209-153(263)99(54-72(4)5)196-157(267)109(68-213)206-148(258)103(58-82-64-175-71-180-82)203-160(270)131(76(10)16-3)210-154(264)100(55-73(6)7)197-158(268)110(69-214)207-162(272)132(78(12)215)211-155(265)101(56-80-26-28-83(217)29-27-80)198-150(260)105(60-117(171)223)201-151(261)106(61-118(172)224)204-161(271)130(75(9)15-2)208-146(256)98(40-51-127(239)240)192-136(246)87(25-21-53-176-164(173)174)186-152(262)107(62-128(241)242)202-147(257)102(57-81-63-177-85-23-18-17-22-84(81)85)199-137(247)89(182-79(13)216)35-46-122(229)230/h17-18,22-23,26-29,63-64,71-78,86-111,129-132,177,212-215,217,275H,14-16,19-21,24-25,30-62,65-70,165H2,1-13H3,(H2,166,218)(H2,167,219)(H2,168,220)(H2,169,221)(H2,170,222)(H2,171,223)(H2,172,224)(H,175,180)(H,178,225)(H,179,244)(H,181,245)(H,182,216)(H,183,226)(H,184,243)(H,185,252)(H,186,262)(H,187,248)(H,188,250)(H,189,251)(H,190,249)(H,191,253)(H,192,246)(H,193,259)(H,194,266)(H,195,269)(H,196,267)(H,197,268)(H,198,260)(H,199,247)(H,200,254)(H,201,261)(H,202,257)(H,203,270)(H,204,271)(H,205,255)(H,206,258)(H,207,272)(H,208,256)(H,209,263)(H,210,264)(H,211,265)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H,273,274)(H4,173,174,176)/t74-,75-,76-,77-,78+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,129-,130-,131-,132-/m0/s1

InChIKey

RCAQWCGEVCWRDM-VKDVTUBBSA-N

Compound name

(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-carboxy-1-[[2-[[2-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130572