Sj-2176-e634a

Structural Information

Molecular Formula

C₁₆₃H₂₅₀N₄₈O₆₂S

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](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](C)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/C163H250N48O62S/c1-14-73(8)128(208-132(242)76(11)181-134(244)86(25-21-51-176-163(173)174)185-151(261)106(61-127(240)241)202-145(255)100(55-80-62-177-84-23-18-17-22-83(80)84)198-136(246)88(182-78(13)216)35-45-122(230)231)159(269)204-105(60-118(172)225)150(260)201-104(59-117(171)224)149(259)197-99(54-79-26-28-82(217)29-27-79)154(264)211-131(77(12)215)161(271)207-109(68-214)157(267)196-98(53-72(6)7)153(263)210-130(75(10)16-3)160(270)203-101(56-81-63-175-70-180-81)146(256)206-108(67-213)156(266)195-97(52-71(4)5)152(262)209-129(74(9)15-2)158(268)194-96(39-49-126(238)239)142(252)190-95(38-48-125(236)237)144(254)205-107(66-212)155(265)193-92(33-43-114(168)221)143(253)200-103(58-116(170)223)147(257)191-91(32-42-113(167)220)139(249)187-90(31-41-112(166)219)138(248)189-93(36-46-123(232)233)140(250)184-85(24-19-20-50-164)135(245)199-102(57-115(169)222)148(258)192-94(37-47-124(234)235)141(251)188-89(30-40-111(165)218)137(247)186-87(34-44-121(228)229)133(243)179-64-119(226)178-65-120(227)183-110(69-274)162(272)273/h17-18,22-23,26-29,62-63,70-77,85-110,128-131,177,212-215,217,274H,14-16,19-21,24-25,30-61,64-69,164H2,1-13H3,(H2,165,218)(H2,166,219)(H2,167,220)(H2,168,221)(H2,169,222)(H2,170,223)(H2,171,224)(H2,172,225)(H,175,180)(H,178,226)(H,179,243)(H,181,244)(H,182,216)(H,183,227)(H,184,250)(H,185,261)(H,186,247)(H,187,249)(H,188,251)(H,189,248)(H,190,252)(H,191,257)(H,192,258)(H,193,265)(H,194,268)(H,195,266)(H,196,267)(H,197,259)(H,198,246)(H,199,245)(H,200,253)(H,201,260)(H,202,255)(H,203,270)(H,204,269)(H,205,254)(H,206,256)(H,207,271)(H,208,242)(H,209,262)(H,210,263)(H,211,264)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H,272,273)(H4,173,174,176)/t73-,74-,75-,76-,77+,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-,110-,128-,129-,130-,131-/m0/s1

InChIKey

PYEOJJYRZGENFS-GQZOCDSXSA-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]-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]-1-oxopropan-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 16131554