7-[3-[[(2S)-2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino]pyrrolidin-1-yl]-1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid

Systemtic Name: 7-[3-[[(2S)-2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino]pyrrolidin-1-yl]-1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid Openeye Name: 7-[3-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenyl-propanoyl]amino]pyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid CAS Name: 7-[3-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]-1-pyrrolidinyl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 7-[3-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]pyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid Traditional Name: 1-(2,4-difluorophenyl)-6-fluoro-7-[3-[[(2S)-2-(glycylamino)-3-phenyl-propanoyl]amino]pyrrolidino]-4-keto-1,8-naphthyridine-3-carboxylic acid Formula: C30H27F3N6O5 MolecularWeight: 608.56779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)C(CC2=CC=CC=C2)NC(=O)CN)C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F

Isomeric SMILES

C1CN(CC1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CN)C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F

InChI

InChI=1S/C30H27F3N6O5/c31-17-6-7-24(21(32)11-17)39-15-20(30(43)44)26(41)19-12-22(33)28(37-27(19)39)38-9-8-18(14-38)35-29(42)23(36-25(40)13-34)10-16-4-2-1-3-5-16/h1-7,11-12,15,18,23H,8-10,13-14,34H2,(H,35,42)(H,36,40)(H,43,44)/t18?,23-/m0/s1