Nrc-19

Structural Information

Molecular Formula

C₁₃₄H₁₉₂N₄₀O₂₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)NCC(=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)NCC(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CC4=CN=CN4)C(=O)C)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@H](CC8=CN=CN8)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC9=CN=CN9)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)N

InChI

InChI=1S/C134H192N40O24/c1-18-78(15)115(133(197)168-104(48-87-56-140-68-153-87)121(185)147-62-111(179)160-105(49-88-57-141-69-154-88)126(190)161-95(80(17)175)45-84-53-137-65-150-84)173-128(192)98(40-74(7)8)159-110(178)61-146-120(184)103(47-86-55-139-67-152-86)169-134(198)116(79(16)19-2)174-129(193)101(44-83-52-144-93-35-27-26-34-91(83)93)165-122(186)94(36-28-29-37-135)157-108(176)63-149-131(195)113(76(11)12)172-130(194)107(51-90-59-143-71-156-90)167-127(191)106(50-89-58-142-70-155-89)170-132(196)114(77(13)14)171-112(180)64-148-119(183)102(46-85-54-138-66-151-85)166-125(189)100(43-82-32-24-21-25-33-82)164-124(188)99(41-75(9)10)163-123(187)97(39-73(5)6)158-109(177)60-145-118(182)96(38-72(3)4)162-117(181)92(136)42-81-30-22-20-23-31-81/h20-27,30-35,52-59,65-79,92,94-107,113-116,144H,18-19,28-29,36-51,60-64,135-136H2,1-17H3,(H,137,150)(H,138,151)(H,139,152)(H,140,153)(H,141,154)(H,142,155)(H,143,156)(H,145,182)(H,146,184)(H,147,185)(H,148,183)(H,149,195)(H,157,176)(H,158,177)(H,159,178)(H,160,179)(H,161,190)(H,162,181)(H,163,187)(H,164,188)(H,165,186)(H,166,189)(H,167,191)(H,168,197)(H,169,198)(H,170,196)(H,171,180)(H,172,194)(H,173,192)(H,174,193)/t78-,79-,92-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,113-,114-,115-,116-/m0/s1

InChIKey

PZAOSXHIZUNTSO-SPDHKIADSA-N

Compound name

(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-N-[(2S)-1-[[(2S,3S)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-[[2-[[(2S)-1-[[(2S,3S)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-[[2-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(2S)-1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]hexanamide

Related CIDs

• CID 16131783