Riidllwrvwrpqkfvtvwv

Structural Information

Molecular Formula

C₁₃₄H₂₀₈N₃₈O₂₅

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](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC6=CC=CC=C6)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](CC7=CNC8=CC=CC=C87)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/C134H208N38O25/c1-18-75(15)108(170-128(195)109(76(16)19-2)169-111(178)86(136)42-32-54-147-132(140)141)127(194)164-100(64-103(176)177)119(186)159-94(58-69(3)4)115(182)158-95(59-70(5)6)116(183)161-97(61-79-65-150-87-43-26-23-39-83(79)87)117(184)155-91(47-33-55-148-133(142)143)114(181)165-105(72(9)10)124(191)162-98(62-80-66-151-88-44-27-24-40-84(80)88)118(185)157-93(48-34-56-149-134(144)145)130(197)172-57-35-49-101(172)122(189)156-92(50-51-102(137)175)113(180)154-90(46-29-30-52-135)112(179)160-96(60-78-36-21-20-22-37-78)120(187)167-107(74(13)14)126(193)171-110(77(17)174)129(196)168-106(73(11)12)125(192)163-99(63-81-67-152-89-45-28-25-41-85(81)89)121(188)166-104(71(7)8)123(190)153-82(68-173)38-31-53-146-131(138)139/h20-28,36-37,39-41,43-45,65-77,82,86,90-101,104-110,150-152,174H,18-19,29-35,38,42,46-64,135-136H2,1-17H3,(H2,137,175)(H,153,190)(H,154,180)(H,155,184)(H,156,189)(H,157,185)(H,158,182)(H,159,186)(H,160,179)(H,161,183)(H,162,191)(H,163,192)(H,164,194)(H,165,181)(H,166,188)(H,167,187)(H,168,196)(H,169,178)(H,170,195)(H,171,193)(H,176,177)(H4,138,139,146)(H4,140,141,147)(H4,142,143,148)(H4,144,145,149)/t75-,76-,77+,82-,86-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,104-,105-,106-,107-,108-,109-,110-/m0/s1

InChIKey

BJDZCFRWLGLRIE-YTACCQNZSA-N

Compound name

(3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-1-[[(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]amino]-1,5-dioxopentan-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 16129742