Krwwkwirw

Structural Information

Molecular Formula

C₇₄H₁₀₁N₂₁O₁₀

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C74H101N21O10/c1-3-42(2)63(71(103)90-58(29-17-33-83-74(80)81)67(99)94-62(72(104)105)37-46-41-87-55-26-11-7-21-50(46)55)95-70(102)61(36-45-40-86-54-25-10-6-20-49(45)54)92-65(97)56(27-13-15-31-76)89-68(100)59(34-43-38-84-52-23-8-4-18-47(43)52)93-69(101)60(35-44-39-85-53-24-9-5-19-48(44)53)91-66(98)57(28-16-32-82-73(78)79)88-64(96)51(77)22-12-14-30-75/h4-11,18-21,23-26,38-42,51,56-63,84-87H,3,12-17,22,27-37,75-77H2,1-2H3,(H,88,96)(H,89,100)(H,90,103)(H,91,98)(H,92,97)(H,93,101)(H,94,99)(H,95,102)(H,104,105)(H4,78,79,82)(H4,80,81,83)/t42-,51-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1

InChIKey

BZOACNYPVODTND-IMLVQKBXSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2,6-diaminohexanoyl]amino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Related CIDs

• CID 44572827