Qhllqltvwgikqlqarilaverylkdq-conh2

Structural Information

Molecular Formula

C₁₅₄H₂₅₅N₄₅O₃₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CCC(=O)N)N

InChI

InChI=1S/C154H255N45O39/c1-24-82(19)123(195-118(207)72-172-130(216)110(67-88-70-171-93-35-27-26-34-91(88)93)194-149(235)122(81(17)18)197-152(238)125(86(23)200)199-147(233)108(65-79(13)14)187-137(223)101(48-54-117(162)206)182-142(228)106(63-77(9)10)188-143(229)107(64-78(11)12)190-145(231)111(68-89-71-168-73-173-89)185-129(215)92(157)44-50-113(158)202)150(236)183-96(37-29-31-57-156)132(218)180-100(47-53-116(161)205)136(222)186-104(61-75(5)6)141(227)181-99(46-52-115(160)204)131(217)174-84(21)127(213)177-98(39-33-59-170-154(166)167)138(224)198-124(83(20)25-2)151(237)193-103(60-74(3)4)139(225)175-85(22)128(214)196-121(80(15)16)148(234)184-102(49-55-119(208)209)135(221)178-97(38-32-58-169-153(164)165)134(220)191-109(66-87-40-42-90(201)43-41-87)144(230)189-105(62-76(7)8)140(226)179-95(36-28-30-56-155)133(219)192-112(69-120(210)211)146(232)176-94(126(163)212)45-51-114(159)203/h26-27,34-35,40-43,70-71,73-86,92,94-112,121-125,171,200-201H,24-25,28-33,36-39,44-69,72,155-157H2,1-23H3,(H2,158,202)(H2,159,203)(H2,160,204)(H2,161,205)(H2,162,206)(H2,163,212)(H,168,173)(H,172,216)(H,174,217)(H,175,225)(H,176,232)(H,177,213)(H,178,221)(H,179,226)(H,180,218)(H,181,227)(H,182,228)(H,183,236)(H,184,234)(H,185,215)(H,186,222)(H,187,223)(H,188,229)(H,189,230)(H,190,231)(H,191,220)(H,192,219)(H,193,237)(H,194,235)(H,195,207)(H,196,214)(H,197,238)(H,198,224)(H,199,233)(H,208,209)(H,210,211)(H4,164,165,169)(H4,166,167,170)/t82-,83-,84-,85-,86+,92-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,121-,122-,123-,124-,125-/m0/s1

InChIKey

DKTYVARYAHMOHI-QGVNMYLXSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-3-carboxy-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16197405