(2S)-2-azanylbutanedioic acid; [[(2R)-3-methylbutan-2-yl]-phenylmethoxycarbonyl-amino] (2S)-2-azanylpropanoate

Systemtic Name: (2S)-2-azanylbutanedioic acid; [[(2R)-3-methylbutan-2-yl]-phenylmethoxycarbonyl-amino] (2S)-2-azanylpropanoate Openeye Name: (2S)-2-aminobutanedioic acid; [benzyloxycarbonyl-[(1R)-1,2-dimethylpropyl]amino] (2S)-2-aminopropanoate CAS Name: (2S)-2-aminobutanedioic acid; (2S)-2-aminopropanoic acid [[(2R)-3-methylbutan-2-yl]-phenylmethoxycarbonylamino] ester IUPAC Name: (2S)-2-aminobutanedioic acid; [[(2R)-3-methylbutan-2-yl]-phenylmethoxycarbonylamino] (2S)-2-aminopropanoate Traditional Name: (2S)-2-aminopropionic acid [carbobenzoxy-[(1R)-1,2-dimethylpropyl]amino] ester; (2S)-2-aminosuccinic acid Formula: C20H31N3O8 MolecularWeight: 441.47544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)N(C(=O)OCC1=CC=CC=C1)OC(=O)C(C)N.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4.C4H7NO4/c1-11(2)13(4)18(22-15(19)12(3)17)16(20)21-10-14-8-6-5-7-9-14;5-2(4(8)9)1-3(6)7/h5-9,11-13H,10,17H2,1-4H3;2H,1,5H2,(H,6,7)(H,8,9)/t12-,13+;2-/m00/s1