16-[[(2s)-1-[[(2s)-5-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[2-[[(2s,3s)-1-[[(2s)-1-[[(2s)-5-amino-1-[[(2s)-1-[[(2s)-5-amino-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)-5-amino-1-[[(2s,3s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-5-amino-1-[[(1s)-5-amino-1-carboxypentyl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-(1h-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]hexadecanoic acid

Structural Information

Molecular Formula

C₁₅₂H₂₆₁N₄₃O₄₇

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)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](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NCCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C152H261N43O47/c1-19-81(14)121(192-115(205)73-169-126(217)107(74-196)191-139(230)100(65-78(8)9)185-138(229)99(64-77(6)7)183-133(224)91(45-53-110(156)200)173-127(218)87(40-37-61-167-151(161)162)166-60-36-32-30-28-26-24-22-23-25-27-29-31-33-42-116(206)207)146(237)190-106(71-120(214)215)143(234)177-89(43-51-108(154)198)130(221)175-95(49-57-118(210)211)131(222)174-92(46-54-111(157)201)134(225)187-104(69-113(159)203)142(233)188-105(70-114(160)204)141(232)186-102(67-80(12)13)145(236)195-124(85(18)197)149(240)179-88(41-38-62-168-152(163)164)129(220)184-101(66-79(10)11)144(235)194-122(82(15)20-2)147(238)180-94(48-56-117(208)209)128(219)171-84(17)125(216)172-93(47-55-112(158)202)136(227)193-123(83(16)21-3)148(239)189-103(68-86-72-165-75-170-86)140(231)178-96(50-58-119(212)213)135(226)182-98(63-76(4)5)137(228)176-90(44-52-109(155)199)132(223)181-97(150(241)242)39-34-35-59-153/h72,75-85,87-107,121-124,166,196-197H,19-71,73-74,153H2,1-18H3,(H2,154,198)(H2,155,199)(H2,156,200)(H2,157,201)(H2,158,202)(H2,159,203)(H2,160,204)(H,165,170)(H,169,217)(H,171,219)(H,172,216)(H,173,218)(H,174,222)(H,175,221)(H,176,228)(H,177,234)(H,178,231)(H,179,240)(H,180,238)(H,181,223)(H,182,226)(H,183,224)(H,184,220)(H,185,229)(H,186,232)(H,187,225)(H,188,233)(H,189,239)(H,190,237)(H,191,230)(H,192,205)(H,193,227)(H,194,235)(H,195,236)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H,241,242)(H4,161,162,167)(H4,163,164,168)/t81-,82-,83-,84-,85+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,121-,122-,123-,124-/m0/s1

InChIKey

JIAOXJQJZZFFDW-TZWOEVDWSA-N

Compound name

16-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-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)-5-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(1S)-5-amino-1-carboxypentyl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]hexadecanoic acid

Related CIDs

• CID 86575212