2-[[2-(butoxycarbonylamino)-3-(4-fluorophenyl)propanoyl]-methyl-amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-(butoxycarbonylamino)-3-(4-fluorophenyl)propanoyl]-methyl-amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(butoxycarbonylamino)-3-(4-fluorophenyl)propanoyl]-methyl-amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[butoxy(oxo)methyl]amino]-3-(4-fluorophenyl)-1-oxopropyl]-methylamino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(butoxycarbonylamino)-3-(4-fluorophenyl)propanoyl]-methylamino]-3-methylbutanoic acid Traditional Name: 2-[[2-(butoxycarbonylamino)-3-(4-fluorophenyl)propanoyl]-methyl-amino]-3-methyl-butyric acid Formula: C20H29FN2O5 MolecularWeight: 396.453063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(CC1=CC=C(C=C1)F)C(=O)N(C)C(C(C)C)C(=O)O

Isomeric SMILES

CCCCOC(=O)NC(CC1=CC=C(C=C1)F)C(=O)N(C)C(C(C)C)C(=O)O

InChI

InChI=1S/C20H29FN2O5/c1-5-6-11-28-20(27)22-16(12-14-7-9-15(21)10-8-14)18(24)23(4)17(13(2)3)19(25)26/h7-10,13,16-17H,5-6,11-12H2,1-4H3,(H,22,27)(H,25,26)