Nrc-07

Structural Information

Molecular Formula

C₁₃₇H₂₁₁N₃₉O₂₈

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC(C)C)C(=O)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](CCCNC(=N)N)N)O

InChI

InChI=1S/C137H211N39O28/c1-73(2)56-101(81(13)177)165-128(196)103(59-85-46-48-90(180)49-47-85)167-118(186)79(11)159-135(203)114(82(14)178)176-130(198)102(57-74(3)4)166-117(185)78(10)156-116(184)77(9)157-122(190)96(41-23-28-50-138)160-110(182)69-152-133(201)112(75(5)6)173-131(199)107(62-88-66-146-71-154-88)171-125(193)98(43-25-30-52-140)162-111(183)70-153-134(202)113(76(7)8)174-132(200)108(63-89-67-147-72-155-89)172-136(204)115(83(15)179)175-119(187)80(12)158-123(191)99(44-26-31-53-141)163-126(194)100(45-27-32-54-142)164-127(195)104(58-84-34-17-16-18-35-84)169-129(197)106(61-87-65-150-95-40-22-20-37-92(87)95)170-124(192)97(42-24-29-51-139)161-109(181)68-151-121(189)105(60-86-64-149-94-39-21-19-36-91(86)94)168-120(188)93(143)38-33-55-148-137(144)145/h16-22,34-37,39-40,46-49,64-67,71-80,82-83,93,96-108,112-115,149-150,178-180H,23-33,38,41-45,50-63,68-70,138-143H2,1-15H3,(H,146,154)(H,147,155)(H,151,189)(H,152,201)(H,153,202)(H,156,184)(H,157,190)(H,158,191)(H,159,203)(H,160,182)(H,161,181)(H,162,183)(H,163,194)(H,164,195)(H,165,196)(H,166,185)(H,167,186)(H,168,188)(H,169,197)(H,170,192)(H,171,193)(H,172,204)(H,173,199)(H,174,200)(H,175,187)(H,176,198)(H4,144,145,148)/t77-,78-,79-,80-,82+,83+,93-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,112-,113-,114-,115-/m0/s1

InChIKey

IFNSWYDYDCNQSL-OLYTYELZSA-N

Compound name

(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]hexanamide

Related CIDs

• CID 16131771