D-[nh2-gly-phe-tyr]-l-pro-d-[glu-phe-tyr-his-oh]

Structural Information

Molecular Formula

C₅₄H₆₂N₁₀O₁₃

SMILES

C1C[C@H](N(C1)C(=O)[C@@H](CC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=CC=C3)NC(=O)CN)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)N[C@H](CC5=CC=C(C=C5)O)C(=O)N[C@H](CC6=CN=CN6)C(=O)O

InChI

InChI=1S/C54H62N10O13/c55-29-46(67)58-40(24-32-8-3-1-4-9-32)49(71)62-43(27-35-15-19-38(66)20-16-35)53(75)64-23-7-12-45(64)52(74)59-39(21-22-47(68)69)48(70)60-41(25-33-10-5-2-6-11-33)50(72)61-42(26-34-13-17-37(65)18-14-34)51(73)63-44(54(76)77)28-36-30-56-31-57-36/h1-6,8-11,13-20,30-31,39-45,65-66H,7,12,21-29,55H2,(H,56,57)(H,58,67)(H,59,74)(H,60,70)(H,61,72)(H,62,71)(H,63,73)(H,68,69)(H,76,77)/t39-,40-,41-,42-,43-,44-,45+/m1/s1

InChIKey

JJXVRRSKNKBGLW-FQWNWDHISA-N

Compound name

(4R)-4-[[(2S)-1-[(2R)-2-[[(2R)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2R)-1-[[(2R)-1-[[(1R)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 5279553