7-[3-[[(2-azanyl-3-phenyl-propanoyl)amino]methyl]-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid

Systemtic Name: 7-[3-[[(2-azanyl-3-phenyl-propanoyl)amino]methyl]-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid Openeye Name: 7-[3-[[(2-amino-3-phenyl-propanoyl)amino]methyl]-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid CAS Name: 7-[3-[[(2-amino-1-oxo-3-phenylpropyl)amino]methyl]-3-methyl-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 7-[3-[[(2-amino-3-phenylpropanoyl)amino]methyl]-3-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[3-methyl-3-[(phenylalanylamino)methyl]pyrrolidino]-1,8-naphthyridine-3-carboxylic acid Formula: C27H30FN5O4 MolecularWeight: 507.556603

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F)CNC(=O)C(CC5=CC=CC=C5)N

Isomeric SMILES

CC1(CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F)CNC(=O)C(CC5=CC=CC=C5)N

InChI

InChI=1S/C27H30FN5O4/c1-27(14-30-25(35)21(29)11-16-5-3-2-4-6-16)9-10-32(15-27)24-20(28)12-18-22(34)19(26(36)37)13-33(17-7-8-17)23(18)31-24/h2-6,12-13,17,21H,7-11,14-15,29H2,1H3,(H,30,35)(H,36,37)