(2S)-2-azanyl-3-oxidanyl-propanoic acid; methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butanoate

Systemtic Name: (2S)-2-azanyl-3-oxidanyl-propanoic acid; methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butanoate Openeye Name: (2S)-2-amino-3-hydroxy-propanoic acid; methyl (2R)-2-(tert-butoxycarbonylamino)-4-phenyl-butanoate CAS Name: (2S)-2-amino-3-hydroxypropanoic acid; (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenylbutanoic acid methyl ester IUPAC Name: (2S)-2-amino-3-hydroxypropanoic acid; methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate Traditional Name: (2S)-2-amino-3-hydroxy-propionic acid; (2R)-2-(tert-butoxycarbonylamino)-4-phenyl-butyric acid methyl ester Formula: C19H30N2O7 MolecularWeight: 398.4507

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC1=CC=CC=C1)C(=O)OC.C(C(C(=O)O)N)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)OC.C([C@@H](C(=O)O)N)O

InChI

InChI=1S/C16H23NO4.C3H7NO3/c1-16(2,3)21-15(19)17-13(14(18)20-4)11-10-12-8-6-5-7-9-12;4-2(1-5)3(6)7/h5-9,13H,10-11H2,1-4H3,(H,17,19);2,5H,1,4H2,(H,6,7)/t13-;2-/m10/s1