Cpf-y-d-i-n-y-y-t-s-e-oh

Structural Information

Molecular Formula

C₇₈H₉₅N₁₃O₂₇

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)COC4=CC=CC=C4NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)[C@@H]6CCCN6C(=O)C(=O)OC

InChI

InChI=1S/C78H95N13O27/c1-5-40(2)64(74(111)87-55(36-60(79)97)69(106)83-52(34-44-19-25-47(95)26-20-44)68(105)84-54(35-45-21-27-48(96)28-22-45)70(107)90-65(41(3)93)75(112)88-57(38-92)72(109)82-50(77(114)115)29-30-62(99)100)89-71(108)56(37-63(101)102)85-66(103)51(33-43-17-23-46(94)24-18-43)80-61(98)39-118-59-16-10-9-14-49(59)81-67(104)53(32-42-12-7-6-8-13-42)86-73(110)58-15-11-31-91(58)76(113)78(116)117-4/h6-10,12-14,16-28,40-41,50-58,64-65,92-96H,5,11,15,29-39H2,1-4H3,(H2,79,97)(H,80,98)(H,81,104)(H,82,109)(H,83,106)(H,84,105)(H,85,103)(H,86,110)(H,87,111)(H,88,112)(H,89,108)(H,90,107)(H,99,100)(H,101,102)(H,114,115)/t40-,41+,50-,51-,52-,53+,54-,55-,56-,57-,58-,64-,65-/m0/s1

InChIKey

LOFUECJLSMXNAC-BMXHYJIGSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-3-carboxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[2-[2-[[(2R)-2-[[(2S)-1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]phenoxy]acetyl]amino]propanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid

Related CIDs

• CID 16130426