Sj-2176-y638a

Structural Information

Molecular Formula

C₁₅₉H₂₄₈N₄₈O₆₃S

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](C)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](CC1=CN=CN1)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](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)O)NC(=O)C

InChI

InChI=1S/C159H248N48O63S/c1-14-70(8)124(154(265)191-91(35-46-121(233)234)138(249)186-90(34-45-120(231)232)140(251)201-102(63-208)151(262)190-87(29-40-109(164)216)139(250)196-99(56-112(167)219)145(256)188-86(28-39-108(163)215)135(246)183-85(27-38-107(162)214)134(245)185-88(32-43-118(227)228)136(247)180-80(24-19-20-48-160)131(242)195-98(55-111(166)218)146(257)189-89(33-44-119(229)230)137(248)184-84(26-37-106(161)213)133(244)182-82(30-41-116(223)224)129(240)175-61-114(221)174-62-115(222)179-105(66-271)158(269)270)205-149(260)93(50-68(4)5)192-152(263)103(64-209)202-144(255)96(53-77-60-171-67-176-77)199-155(266)126(72(10)16-3)206-150(261)94(51-69(6)7)193-153(264)104(65-210)203-157(268)127(74(12)211)207-128(239)73(11)177-142(253)97(54-110(165)217)197-147(258)100(57-113(168)220)200-156(267)125(71(9)15-2)204-141(252)92(36-47-122(235)236)187-130(241)81(25-21-49-172-159(169)170)181-148(259)101(58-123(237)238)198-143(254)95(52-76-59-173-79-23-18-17-22-78(76)79)194-132(243)83(178-75(13)212)31-42-117(225)226/h17-18,22-23,59-60,67-74,80-105,124-127,173,208-211,271H,14-16,19-21,24-58,61-66,160H2,1-13H3,(H2,161,213)(H2,162,214)(H2,163,215)(H2,164,216)(H2,165,217)(H2,166,218)(H2,167,219)(H2,168,220)(H,171,176)(H,174,221)(H,175,240)(H,177,253)(H,178,212)(H,179,222)(H,180,247)(H,181,259)(H,182,244)(H,183,246)(H,184,248)(H,185,245)(H,186,249)(H,187,241)(H,188,256)(H,189,257)(H,190,262)(H,191,265)(H,192,263)(H,193,264)(H,194,243)(H,195,242)(H,196,250)(H,197,258)(H,198,254)(H,199,266)(H,200,267)(H,201,251)(H,202,255)(H,203,268)(H,204,252)(H,205,260)(H,206,261)(H,207,239)(H,223,224)(H,225,226)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,269,270)(H4,169,170,172)/t70-,71-,72-,73-,74+,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,124-,125-,126-,127-/m0/s1

InChIKey

NLMBZKCPICYUFJ-JBQQUQQESA-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)-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]-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]-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 16197379