Ac-bip-glu-asp-bip-val-gly-bip-ile-nh2

Structural Information

Molecular Formula

C₆₉H₇₉N₉O₁₃

SMILES

CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)C4=CC=CC=C4)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC5=CC=C(C=C5)C6=CC=CC=C6)NC(=O)C

InChI

InChI=1S/C69H79N9O13/c1-6-42(4)62(63(70)85)78-67(89)55(37-45-24-30-51(31-25-45)48-18-12-8-13-19-48)73-58(80)40-71-69(91)61(41(2)3)77-68(90)56(38-46-26-32-52(33-27-46)49-20-14-9-15-21-49)75-66(88)57(39-60(83)84)76-64(86)53(34-35-59(81)82)74-65(87)54(72-43(5)79)36-44-22-28-50(29-23-44)47-16-10-7-11-17-47/h7-33,41-42,53-57,61-62H,6,34-40H2,1-5H3,(H2,70,85)(H,71,91)(H,72,79)(H,73,80)(H,74,87)(H,75,88)(H,76,86)(H,77,90)(H,78,89)(H,81,82)(H,83,84)/t42-,53-,54-,55-,56-,57-,61-,62-/m0/s1

InChIKey

JSKYWWYYFYUFNQ-SLEHBCKRSA-N

Compound name

(4S)-4-[[(2S)-2-acetamido-3-(4-phenylphenyl)propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16186177