(2R)-2-[[(4S)-4-carboxy-4-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoro-benzoyl]amino]butanoyl]amino]pentanedioic acid

Molecular Formula: C31H32FN5O9


InChI: InChI=1/C31H32FN5O9/c1-4-11-37(15-18-13-21-25(12-16(18)2)33-17(3)34-29(21)42)19-5-6-20(22(32)14-19)28(41)36-24(31(45)46)7-9-26(38)35-23(30(43)44)8-10-27(39)40/h1,5-6,12-14,23-24H,7-11,15H2,2-3H3,(H,35,38)(H,36,41)(H,39,40)(H,43,44)(H,45,46)(H,33,34,42)/t23-,24+/m1/s1/f/h33,35-36,39,43,45H

InChIKey: InChIKey=PIGKKMGHDBPLME-NCGGWZLMDH
SMILES: CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(CC#C)C3=CC(=C(C=C3)C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)F

Names:
    (2R)-2-[[(4S)-4-carboxy-4-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoro-benzoyl]amino]butanoyl]amino]pentanedioic acid

Registries:
    PubChem CID 132742
    PubChem ID 10243181