ethyl (2S)-2-[(3-aminophenyl)carbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[(3-aminophenyl)carbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[(3-aminobenzoyl)-tert-butoxycarbonyl-amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(3-aminophenyl)-oxomethyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(3-aminobenzoyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(3-aminobenzoyl)-tert-butoxycarbonyl-amino]-3-phenyl-propionic acid ethyl ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)N(C(=O)C2=CC(=CC=C2)N)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)C2=CC(=CC=C2)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H28N2O5/c1-5-29-21(27)19(14-16-10-7-6-8-11-16)25(22(28)30-23(2,3)4)20(26)17-12-9-13-18(24)15-17/h6-13,15,19H,5,14,24H2,1-4H3/t19-/m0/s1