3-[2-[(2-azanyl-3-methyl-butanoyl)amino]propanoyl-phenylmethoxycarbonyl-amino]-5-fluoranyl-5-methoxy-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[2-[(2-azanyl-3-methyl-butanoyl)amino]propanoyl-phenylmethoxycarbonyl-amino]-5-fluoranyl-5-methoxy-4-oxidanylidene-pentanoic acid Openeye Name: 3-[2-[(2-amino-3-methyl-butanoyl)amino]propanoyl-benzyloxycarbonyl-amino]-5-fluoro-5-methoxy-4-oxo-pentanoic acid CAS Name: 3-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]-1-oxopropyl]-phenylmethoxycarbonylamino]-5-fluoro-5-methoxy-4-oxopentanoic acid IUPAC Name: 3-[2-[(2-amino-3-methylbutanoyl)amino]propanoyl-phenylmethoxycarbonylamino]-5-fluoro-5-methoxy-4-oxopentanoic acid Traditional Name: 3-[2-[(2-amino-3-methyl-butanoyl)amino]propanoyl-carbobenzoxy-amino]-5-fluoro-4-keto-5-methoxy-valeric acid Formula: C22H30FN3O8 MolecularWeight: 483.487303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=O)C(OC)F)C(=O)OCC1=CC=CC=C1)N

Isomeric SMILES

CC(C)C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=O)C(OC)F)C(=O)OCC1=CC=CC=C1)N

InChI

InChI=1S/C22H30FN3O8/c1-12(2)17(24)20(30)25-13(3)21(31)26(15(10-16(27)28)18(29)19(23)33-4)22(32)34-11-14-8-6-5-7-9-14/h5-9,12-13,15,17,19H,10-11,24H2,1-4H3,(H,25,30)(H,27,28)