Acetyl-g-(didehydro)-frk-(didehydro)-fhk-(didehydro)-fwaag-(didehydro)-frk-(didehydro)-fhk-(didehydro)-fwa-nh2

Structural Information

Molecular Formula

C₁₃₉H₁₇₄N₃₈O₂₂

SMILES

C[C@@H](C(=O)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)/C(=C\C3=CC=CC=C3)/NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC4=CN=CN4)NC(=O)/C(=C\C5=CC=CC=C5)/NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)/C(=C\C6=CC=CC=C6)/NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)/C(=C\C9=CC=CC=C9)/NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CN=CN1)NC(=O)/C(=C\C1=CC=CC=C1)/NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)/C(=C\C1=CC=CC=C1)/NC(=O)CNC(=O)C

InChI

InChI=1S/C139H174N38O22/c1-83(119(144)181)159-128(190)113(71-93-75-154-99-51-25-23-49-97(93)99)174-132(194)109(67-89-41-15-7-16-42-89)170-126(188)103(55-29-33-61-142)166-136(198)115(73-95-77-149-81-157-95)176-135(197)112(70-92-47-21-10-22-48-92)173-125(187)102(54-28-32-60-141)165-123(185)106(58-36-64-152-139(147)148)169-131(193)108(66-88-39-13-6-14-40-88)163-118(180)80-156-120(182)84(2)160-121(183)85(3)161-129(191)114(72-94-76-155-100-52-26-24-50-98(94)100)175-133(195)110(68-90-43-17-8-18-44-90)171-127(189)104(56-30-34-62-143)167-137(199)116(74-96-78-150-82-158-96)177-134(196)111(69-91-45-19-9-20-46-91)172-124(186)101(53-27-31-59-140)164-122(184)105(57-35-63-151-138(145)146)168-130(192)107(65-87-37-11-5-12-38-87)162-117(179)79-153-86(4)178/h5-26,37-52,65-70,75-78,81-85,101-106,113-116,154-155H,27-36,53-64,71-74,79-80,140-143H2,1-4H3,(H2,144,181)(H,149,157)(H,150,158)(H,153,178)(H,156,182)(H,159,190)(H,160,183)(H,161,191)(H,162,179)(H,163,180)(H,164,184)(H,165,185)(H,166,198)(H,167,199)(H,168,192)(H,169,193)(H,170,188)(H,171,189)(H,172,186)(H,173,187)(H,174,194)(H,175,195)(H,176,197)(H,177,196)(H4,145,146,151)(H4,147,148,152)/b107-65+,108-66+,109-67+,110-68+,111-69+,112-70+/t83-,84-,85-,101-,102-,103-,104-,105-,106-,113-,114-,115-,116-/m0/s1

InChIKey

CNLUNOKPBBYZDI-KQFQAYNKSA-N

Compound name

(2S)-2-[[(2S)-2-[[(E)-2-[(2-acetamidoacetyl)amino]-3-phenylprop-2-enoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-amino-N-[(E)-3-[[(2S)-1-[[(2S)-6-amino-1-[[(E)-3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(E)-3-[[(2S)-1-[[(2S)-6-amino-1-[[(E)-3-[[(2S)-1-[[(2S)-6-amino-1-[[(E)-3-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-oxo-1-phenylprop-1-en-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-oxo-1-phenylprop-1-en-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-oxo-1-phenylprop-1-en-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-oxo-1-phenylprop-1-en-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-oxo-1-phenylprop-1-en-2-yl]hexanamide

Related CIDs

• CID 71596884