Sj-2176-w631a

Structural Information

Molecular Formula

C₁₅₇H₂₄₇N₄₇O₆₄S

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](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)C

InChI

InChI=1S/C157H247N47O64S/c1-14-69(8)122(152(263)188-89(35-46-119(231)232)136(247)183-88(34-45-118(229)230)138(249)198-100(62-205)149(260)187-85(29-40-107(162)214)137(248)194-96(55-109(164)216)141(252)185-84(28-39-106(161)213)133(244)180-83(27-38-105(160)212)132(243)182-86(32-43-116(225)226)134(245)177-78(20-17-18-48-158)130(241)193-95(54-108(163)215)142(253)186-87(33-44-117(227)228)135(246)181-82(26-37-104(159)211)131(242)179-80(30-41-114(221)222)127(238)172-60-112(219)171-61-113(220)176-103(65-269)156(267)268)202-146(257)91(50-67(4)5)190-150(261)101(63-206)199-140(251)94(53-76-59-169-66-173-76)196-153(264)124(71(10)16-3)203-147(258)92(51-68(6)7)191-151(262)102(64-207)200-155(266)125(73(12)208)204-148(259)93(52-75-22-24-77(210)25-23-75)192-143(254)97(56-110(165)217)195-144(255)98(57-111(166)218)197-154(265)123(70(9)15-2)201-139(250)90(36-47-120(233)234)184-129(240)79(21-19-49-170-157(167)168)178-145(256)99(58-121(235)236)189-126(237)72(11)174-128(239)81(175-74(13)209)31-42-115(223)224/h22-25,59,66-73,78-103,122-125,205-208,210,269H,14-21,26-58,60-65,158H2,1-13H3,(H2,159,211)(H2,160,212)(H2,161,213)(H2,162,214)(H2,163,215)(H2,164,216)(H2,165,217)(H2,166,218)(H,169,173)(H,171,219)(H,172,238)(H,174,239)(H,175,209)(H,176,220)(H,177,245)(H,178,256)(H,179,242)(H,180,244)(H,181,246)(H,182,243)(H,183,247)(H,184,240)(H,185,252)(H,186,253)(H,187,260)(H,188,263)(H,189,237)(H,190,261)(H,191,262)(H,192,254)(H,193,241)(H,194,248)(H,195,255)(H,196,264)(H,197,265)(H,198,249)(H,199,251)(H,200,266)(H,201,250)(H,202,257)(H,203,258)(H,204,259)(H,221,222)(H,223,224)(H,225,226)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,267,268)(H4,167,168,170)/t69-,70-,71-,72-,73+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,122-,123-,124-,125-/m0/s1

InChIKey

ZWSXYAXDEIEJHJ-JEWKMXMKSA-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]-4-carboxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130196