Chemical Identifiers |
- Formula
- C155H230N44O48S
- IUPAC Name
(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-5-amino-2-[[(2S)-3-hydroxy-2-[[(2S)-3-(1H-imidazol-4-yl)-2-(methylamino)propanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid
- Canonical SMILES
-
C[C@H]([C@@H](C(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC7=CNC=N7)NC)O
- InChI
-
InChI=1S/C155H230N44O48S/c1-74(2)55-100(137(231)180-98(50-54-248-12)135(229)188-107(63-117(160)212)146(240)198-123(78(8)204)126(161)220)183-141(235)106(61-85-66-170-90-30-20-19-29-89(85)90)187-133(227)96(44-48-116(159)211)181-151(245)122(76(5)6)197-144(238)104(57-81-25-15-13-16-26-81)186-142(236)108(64-120(216)217)189-132(226)95(43-47-115(158)210)174-127(221)77(7)173-129(223)92(32-23-52-168-154(162)163)175-130(224)93(33-24-53-169-155(164)165)177-148(242)112(71-202)194-143(237)109(65-121(218)219)190-138(232)101(56-75(3)4)182-139(233)102(59-83-34-38-87(207)39-35-83)184-131(225)91(31-21-22-51-156)176-147(241)111(70-201)193-140(234)103(60-84-36-40-88(208)41-37-84)185-134(228)97(45-49-119(214)215)179-150(244)113(72-203)195-153(247)125(80(10)206)199-145(239)105(58-82-27-17-14-18-28-82)191-152(246)124(79(9)205)196-118(213)68-171-128(222)94(42-46-114(157)209)178-149(243)110(69-200)192-136(230)99(166-11)62-86-67-167-73-172-86/h13-20,25-30,34-41,66-67,73-80,91-113,122-125,166,170,200-208H,21-24,31-33,42-65,68-72,156H2,1-12H3,(H2,157,209)(H2,158,210)(H2,159,211)(H2,160,212)(H2,161,220)(H,167,172)(H,171,222)(H,173,223)(H,174,221)(H,175,224)(H,176,241)(H,177,242)(H,178,243)(H,179,244)(H,180,231)(H,181,245)(H,182,233)(H,183,235)(H,184,225)(H,185,228)(H,186,236)(H,187,227)(H,188,229)(H,189,226)(H,190,232)(H,191,246)(H,192,230)(H,193,234)(H,194,237)(H,195,247)(H,196,213)(H,197,238)(H,198,240)(H,199,239)(H,214,215)(H,216,217)(H,218,219)(H4,162,163,168)(H4,164,165,169)/t77-,78+,79+,80+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,122-,123-,124-,125-/m0/s1
- InChIKey
-
QAFHHWFRTULWIL-OQZBCNBHSA-N
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