3-[[(2S)-2-[(2,4-dichlorophenyl)methoxycarbonylamino]-3-methyl-butanoyl]amino]-4-fluoranyl-butanoic acid

Systemtic Name: 3-[[(2S)-2-[(2,4-dichlorophenyl)methoxycarbonylamino]-3-methyl-butanoyl]amino]-4-fluoranyl-butanoic acid Openeye Name: 3-[[(2S)-2-[(2,4-dichlorophenyl)methoxycarbonylamino]-3-methyl-butanoyl]amino]-4-fluoro-butanoic acid CAS Name: 3-[[(2S)-2-[[(2,4-dichlorophenyl)methoxy-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-4-fluorobutanoic acid IUPAC Name: 3-[[(2S)-2-[(2,4-dichlorophenyl)methoxycarbonylamino]-3-methylbutanoyl]amino]-4-fluorobutanoic acid Traditional Name: 3-[[(2S)-2-[(2,4-dichlorobenzyl)oxycarbonylamino]-3-methyl-butanoyl]amino]-4-fluoro-butyric acid Formula: C17H21Cl2FN2O5 MolecularWeight: 423.263443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)CF)NC(=O)OCC1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(CC(=O)O)CF)NC(=O)OCC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C17H21Cl2FN2O5/c1-9(2)15(16(25)21-12(7-20)6-14(23)24)22-17(26)27-8-10-3-4-11(18)5-13(10)19/h3-5,9,12,15H,6-8H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)/t12?,15-/m0/s1