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

Systemtic Name: (2S)-2-azanyl-3-oxidanyl-propanoic acid; (phenylmethyl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butanoate Openeye Name: (2S)-2-amino-3-hydroxy-propanoic acid; benzyl (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 (phenylmethyl) ester IUPAC Name: (2S)-2-amino-3-hydroxypropanoic acid; benzyl (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 benzyl ester Formula: C25H34N2O7 MolecularWeight: 474.54666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2.C(C(C(=O)O)N)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2.C([C@@H](C(=O)O)N)O

InChI

InChI=1S/C22H27NO4.C3H7NO3/c1-22(2,3)27-21(25)23-19(15-14-17-10-6-4-7-11-17)20(24)26-16-18-12-8-5-9-13-18;4-2(1-5)3(6)7/h4-13,19H,14-16H2,1-3H3,(H,23,25);2,5H,1,4H2,(H,6,7)/t19-;2-/m10/s1