3-azanyl-2-oxidanyl-propanoic acid; ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: 3-azanyl-2-oxidanyl-propanoic acid; ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: 3-amino-2-hydroxy-propanoic acid; ethyl (2S)-2-(benzyloxycarbonylamino)propanoate CAS Name: 3-amino-2-hydroxypropanoic acid; (2S)-2-(phenylmethoxycarbonylamino)propanoic acid ethyl ester IUPAC Name: 3-amino-2-hydroxypropanoic acid; ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-amino-2-hydroxy-propionic acid; (2S)-2-(benzyloxycarbonylamino)propionic acid ethyl ester Formula: C16H24N2O7 MolecularWeight: 356.37096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(=O)OCC1=CC=CC=C1.C(C(C(=O)O)O)N

Isomeric SMILES

CCOC(=O)[C@H](C)NC(=O)OCC1=CC=CC=C1.C(C(C(=O)O)O)N

InChI

InChI=1S/C13H17NO4.C3H7NO3/c1-3-17-12(15)10(2)14-13(16)18-9-11-7-5-4-6-8-11;4-1-2(5)3(6)7/h4-8,10H,3,9H2,1-2H3,(H,14,16);2,5H,1,4H2,(H,6,7)/t10-;/m0./s1