tert-butyl (2S)-2-[[(2S)-2-azanyl-5-(3-fluorophenyl)-4-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-2-azanyl-5-(3-fluorophenyl)-4-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-[[(2S)-2-amino-5-(3-fluorophenyl)-4-oxo-pentanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-amino-5-(3-fluorophenyl)-1,4-dioxopentyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-2-amino-5-(3-fluorophenyl)-4-oxopentanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-amino-5-(3-fluorophenyl)-4-keto-pentanoyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C24H29FN2O4 MolecularWeight: 428.496463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)CC2=CC(=CC=C2)F)N

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)CC2=CC(=CC=C2)F)N

InChI

InChI=1S/C24H29FN2O4/c1-24(2,3)31-23(30)21(14-16-8-5-4-6-9-16)27-22(29)20(26)15-19(28)13-17-10-7-11-18(25)12-17/h4-12,20-21H,13-15,26H2,1-3H3,(H,27,29)/t20-,21-/m0/s1