3-ethoxycarbonyl-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]aziridine-2-carboxylic acid

Systemtic Name: 3-ethoxycarbonyl-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]aziridine-2-carboxylic acid Openeye Name: 1-[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]-3-ethoxycarbonyl-aziridine-2-carboxylic acid CAS Name: 3-ethoxycarbonyl-1-[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]-2-aziridinecarboxylic acid IUPAC Name: 3-ethoxycarbonyl-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]aziridine-2-carboxylic acid Traditional Name: 1-[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]-3-carbethoxy-ethylenimine-2-carboxylic acid Formula: C20H26N2O7 MolecularWeight: 406.42964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1C(=O)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CCOC(=O)C1C(N1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C20H26N2O7/c1-5-28-18(26)15-14(17(24)25)22(15)16(23)13(11-12-9-7-6-8-10-12)21-19(27)29-20(2,3)4/h6-10,13-15H,5,11H2,1-4H3,(H,21,27)(H,24,25)/t13-,14?,15?,22?/m0/s1