Riidllwrvwrpwwpkfvtvwv

Structural Information

Molecular Formula

C₁₅₆H₂₂₇N₄₁O₂₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N[C@@H](CC8=CNC9=CC=CC=C98)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C=O)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C156H227N41O26/c1-18-88(15)128(194-149(220)129(89(16)19-2)193-131(202)103(158)49-36-62-168-154(161)162)148(219)187-119(75-123(200)201)139(210)181-112(67-82(3)4)134(205)180-113(68-83(5)6)135(206)183-115(70-92-76-171-104-50-28-23-44-98(92)104)136(207)177-110(56-37-63-169-155(163)164)133(204)189-125(85(9)10)145(216)185-117(72-94-78-173-106-52-30-25-46-100(94)106)137(208)179-111(57-38-64-170-156(165)166)151(222)196-65-39-59-122(196)143(214)184-116(71-93-77-172-105-51-29-24-45-99(93)105)138(209)188-120(74-96-80-175-108-54-32-27-48-102(96)108)152(223)197-66-40-58-121(197)142(213)178-109(55-33-34-60-157)132(203)182-114(69-91-41-21-20-22-42-91)140(211)191-127(87(13)14)147(218)195-130(90(17)199)150(221)192-126(86(11)12)146(217)186-118(73-95-79-174-107-53-31-26-47-101(95)107)141(212)190-124(84(7)8)144(215)176-97(81-198)43-35-61-167-153(159)160/h20-32,41-42,44-48,50-54,76-90,97,103,109-122,124-130,171-175,199H,18-19,33-40,43,49,55-75,157-158H2,1-17H3,(H,176,215)(H,177,207)(H,178,213)(H,179,208)(H,180,205)(H,181,210)(H,182,203)(H,183,206)(H,184,214)(H,185,216)(H,186,217)(H,187,219)(H,188,209)(H,189,204)(H,190,212)(H,191,211)(H,192,221)(H,193,202)(H,194,220)(H,195,218)(H,200,201)(H4,159,160,167)(H4,161,162,168)(H4,163,164,169)(H4,165,166,170)/t88-,89-,90+,97-,103-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,124-,125-,126-,127-,128-,129-,130-/m0/s1

InChIKey

JTWUDVANFIMGOW-AWVPNQAXSA-N

Compound name

(3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16129747