D-[nh2-his-met-asn]-l-pro-d-[phe-tyr-tyr-gln-oh]

Structural Information

Molecular Formula

C₅₂H₆₆N₁₂O₁₃S

SMILES

CSCC[C@H](C(=O)N[C@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@H](CC3=CC=C(C=C3)O)C(=O)N[C@H](CC4=CC=C(C=C4)O)C(=O)N[C@H](CCC(=O)N)C(=O)O)NC(=O)[C@@H](CC5=CN=CN5)N

InChI

InChI=1S/C52H66N12O13S/c1-78-21-19-36(58-45(69)35(53)25-32-27-56-28-57-32)46(70)63-41(26-44(55)68)51(75)64-20-5-8-42(64)50(74)62-40(22-29-6-3-2-4-7-29)49(73)61-39(24-31-11-15-34(66)16-12-31)48(72)60-38(23-30-9-13-33(65)14-10-30)47(71)59-37(52(76)77)17-18-43(54)67/h2-4,6-7,9-16,27-28,35-42,65-66H,5,8,17-26,53H2,1H3,(H2,54,67)(H2,55,68)(H,56,57)(H,58,69)(H,59,71)(H,60,72)(H,61,73)(H,62,74)(H,63,70)(H,76,77)/t35-,36-,37-,38-,39-,40-,41-,42+/m1/s1

InChIKey

UXOBAEQYZKKDFN-SXDJJSICSA-N

Compound name

(2R)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2S)-1-[(2R)-4-amino-2-[[(2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 5279554