D-[nh2-thr-trp-gln]-l-pro-d-[phe-his-ser-ile-oh]

Structural Information

Molecular Formula

C₄₉H₆₆N₁₂O₁₂

SMILES

CC[C@@H](C)[C@H](C(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@@H](CC1=CN=CN1)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@@H]([C@H](C)O)N

InChI

InChI=1S/C49H66N12O12/c1-4-26(2)41(49(72)73)60-45(68)37(24-62)59-44(67)36(21-30-23-52-25-54-30)56-42(65)34(19-28-11-6-5-7-12-28)57-46(69)38-15-10-18-61(38)48(71)33(16-17-39(50)64)55-43(66)35(58-47(70)40(51)27(3)63)20-29-22-53-32-14-9-8-13-31(29)32/h5-9,11-14,22-23,25-27,33-38,40-41,53,62-63H,4,10,15-21,24,51H2,1-3H3,(H2,50,64)(H,52,54)(H,55,66)(H,56,65)(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,72,73)/t26-,27+,33-,34-,35-,36-,37-,38+,40-,41-/m1/s1

InChIKey

DQNLAOWBTJPFKL-PKZXCIMASA-N

Compound name

(2R,3R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2S)-1-[(2R)-5-amino-2-[[(2R)-2-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 5279552