Nrc-12

Structural Information

Molecular Formula

C₁₃₆H₂₁₀N₃₈O₃₀

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)NCC(=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](CC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)CN)O

InChI

InChI=1S/C136H210N38O30/c1-72(2)55-97(79(13)175)164-125(194)100(58-82-45-47-86(177)48-46-82)166-129(198)103(61-85-67-146-71-153-85)168-131(200)105(63-111(183)184)170-134(203)114(76(9)10)171-117(186)78(12)155-124(193)98(56-73(3)4)158-109(181)69-150-108(180)68-151-133(202)113(75(7)8)173-135(204)115(80(14)176)174-122(191)91(39-22-27-49-137)156-110(182)70-152-132(201)112(74(5)6)172-123(192)95(43-26-31-53-141)161-119(188)92(40-23-28-50-138)159-116(185)77(11)154-118(187)96(44-32-54-147-136(144)145)163-130(199)104(62-106(143)178)169-126(195)99(57-81-33-16-15-17-34-81)165-128(197)102(60-84-66-149-90-38-21-19-36-88(84)90)167-121(190)94(42-25-30-52-140)160-120(189)93(41-24-29-51-139)162-127(196)101(157-107(179)64-142)59-83-65-148-89-37-20-18-35-87(83)89/h15-21,33-38,45-48,65-67,71-78,80,91-105,112-115,148-149,176-177H,22-32,39-44,49-64,68-70,137-142H2,1-14H3,(H2,143,178)(H,146,153)(H,150,180)(H,151,202)(H,152,201)(H,154,187)(H,155,193)(H,156,182)(H,157,179)(H,158,181)(H,159,185)(H,160,189)(H,161,188)(H,162,196)(H,163,199)(H,164,194)(H,165,197)(H,166,198)(H,167,190)(H,168,200)(H,169,195)(H,170,203)(H,171,186)(H,172,192)(H,173,204)(H,174,191)(H,183,184)(H4,144,145,147)/t77-,78-,80+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,112-,113-,114-,115-/m0/s1

InChIKey

HFZNPKDYLSOGBE-SCEMAYBHSA-N

Compound name

(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16131776