Sj-2176-i642a

Structural Information

Molecular Formula

C₁₆₂H₂₄₆N₄₈O₆₄S

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)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](CC(=O)N)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/C162H246N48O64S/c1-12-72(7)128(158(270)194-94(36-47-125(237)238)141(253)189-93(35-46-124(235)236)143(255)205-106(65-211)155(267)193-90(30-41-113(167)220)142(254)201-102(57-115(169)222)148(260)191-89(29-40-112(166)219)138(250)186-88(28-39-111(165)218)137(249)188-91(33-44-122(231)232)139(251)183-83(21-16-17-49-163)134(246)200-101(56-114(168)221)149(261)192-92(34-45-123(233)234)140(252)187-87(27-38-110(164)217)136(248)185-85(31-42-120(227)228)132(244)178-63-118(225)177-64-119(226)182-109(68-275)161(273)274)209-153(265)97(52-71(5)6)197-156(268)107(66-212)206-147(259)100(55-79-62-174-69-179-79)195-131(243)74(9)180-145(257)96(51-70(3)4)196-157(269)108(67-213)207-160(272)130(75(10)214)210-154(266)98(53-77-23-25-80(216)26-24-77)198-150(262)103(58-116(170)223)202-151(263)104(59-117(171)224)204-159(271)129(73(8)13-2)208-144(256)95(37-48-126(239)240)190-133(245)84(22-18-50-175-162(172)173)184-152(264)105(60-127(241)242)203-146(258)99(54-78-61-176-82-20-15-14-19-81(78)82)199-135(247)86(181-76(11)215)32-43-121(229)230/h14-15,19-20,23-26,61-62,69-75,83-109,128-130,176,211-214,216,275H,12-13,16-18,21-22,27-60,63-68,163H2,1-11H3,(H2,164,217)(H2,165,218)(H2,166,219)(H2,167,220)(H2,168,221)(H2,169,222)(H2,170,223)(H2,171,224)(H,174,179)(H,177,225)(H,178,244)(H,180,257)(H,181,215)(H,182,226)(H,183,251)(H,184,264)(H,185,248)(H,186,250)(H,187,252)(H,188,249)(H,189,253)(H,190,245)(H,191,260)(H,192,261)(H,193,267)(H,194,270)(H,195,243)(H,196,269)(H,197,268)(H,198,262)(H,199,247)(H,200,246)(H,201,254)(H,202,263)(H,203,258)(H,204,271)(H,205,255)(H,206,259)(H,207,272)(H,208,256)(H,209,265)(H,210,266)(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)(H4,172,173,175)/t72-,73-,74-,75+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,128-,129-,130-/m0/s1

InChIKey

RCVWUAPXHLWIRI-KRLBXDMSSA-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)-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)-4-amino-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]-1,4-dioxobutan-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]-1-oxopropan-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 16130334