(2s,3s)-2-[[(2r)-2-[[(2r)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-5-carbamimidamidopentanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-n-[(2r)-1-[[(2s)-1-amino-3-(1h-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylpentanamide

Structural Information

Molecular Formula

C₇₅H₉₃N₂₁O₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N)NC(=O)[C@@H](CC3=CC=CC=C3)NC(=O)[C@@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@H](CC8=CNC9=CC=CC=C98)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C75H93N21O9/c1-3-43(2)64(73(105)95-59(32-44-18-6-4-7-19-44)68(100)90-58(65(77)97)37-49-41-82-42-88-49)96-72(104)60(33-45-20-8-5-9-21-45)92-71(103)63(36-48-40-87-56-28-15-12-24-52(48)56)93-67(99)57(29-17-31-84-75(80)81)89-69(101)62(35-47-39-86-55-27-14-11-23-51(47)55)94-70(102)61(34-46-38-85-54-26-13-10-22-50(46)54)91-66(98)53(76)25-16-30-83-74(78)79/h4-15,18-24,26-28,38-43,53,57-64,85-87H,3,16-17,25,29-37,76H2,1-2H3,(H2,77,97)(H,82,88)(H,89,101)(H,90,100)(H,91,98)(H,92,103)(H,93,99)(H,94,102)(H,95,105)(H,96,104)(H4,78,79,83)(H4,80,81,84)/t43-,53-,57-,58-,59+,60+,61-,62-,63+,64-/m0/s1

InChIKey

UPKAOSNYZMHJAC-YTZFQABASA-N

Compound name

(2S,3S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2R)-1-[[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylpentanamide

Related CIDs

• CID 16153440