methyl 3-[[(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]amino]benzoate

Systemtic Name: methyl 3-[[(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]amino]benzoate Openeye Name: methyl 3-[[(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]amino]benzoate CAS Name: 3-[[(2S)-2-[[[(4-fluorophenyl)methylamino]-oxomethyl]amino]-1-oxopentyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]amino]benzoate Traditional Name: 3-[[(2S)-2-[(4-fluorobenzyl)carbamoylamino]pentanoyl]amino]benzoic acid methyl ester Formula: C21H24FN3O4 MolecularWeight: 401.431363

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=CC=CC(=C1)C(=O)OC)NC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CCC[C@@H](C(=O)NC1=CC=CC(=C1)C(=O)OC)NC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C21H24FN3O4/c1-3-5-18(25-21(28)23-13-14-8-10-16(22)11-9-14)19(26)24-17-7-4-6-15(12-17)20(27)29-2/h4,6-12,18H,3,5,13H2,1-2H3,(H,24,26)(H2,23,25,28)/t18-/m0/s1