tert-butyl (2R)-2-[[(2S)-2-(phenylmethoxycarbonylamino)-3-prop-2-ynoxy-propanoyl]amino]propanoate

Systemtic Name: tert-butyl (2R)-2-[[(2S)-2-(phenylmethoxycarbonylamino)-3-prop-2-ynoxy-propanoyl]amino]propanoate Openeye Name: tert-butyl (2R)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-prop-2-ynoxy-propanoyl]amino]propanoate CAS Name: (2R)-2-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)-3-prop-2-ynoxypropyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[[(2S)-2-(phenylmethoxycarbonylamino)-3-prop-2-ynoxypropanoyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-propargyloxy-propanoyl]amino]propionic acid tert-butyl ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)C)NC(=O)C(COCC#C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

C[C@H](C(=O)OC(C)(C)C)NC(=O)[C@H](COCC#C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H28N2O6/c1-6-12-27-14-17(18(24)22-15(2)19(25)29-21(3,4)5)23-20(26)28-13-16-10-8-7-9-11-16/h1,7-11,15,17H,12-14H2,2-5H3,(H,22,24)(H,23,26)/t15-,17+/m1/s1