O4-tert-butyl O1-(phenylmethyl) (2S)-2-[(3S)-3-azanyl-4-methyl-2-oxidanylidene-pentyl]butanedioate

Systemtic Name: O4-tert-butyl O1-(phenylmethyl) (2S)-2-[(3S)-3-azanyl-4-methyl-2-oxidanylidene-pentyl]butanedioate Openeye Name: O1-benzyl O4-tert-butyl (2S)-2-[(3S)-3-amino-4-methyl-2-oxo-pentyl]butanedioate CAS Name: (2S)-2-[(3S)-3-amino-4-methyl-2-oxopentyl]butanedioic acid O4-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-tert-butyl (2S)-2-[(3S)-3-amino-4-methyl-2-oxopentyl]butanedioate Traditional Name: (2S)-2-[(3S)-3-amino-2-keto-4-methyl-pentyl]succinic acid O1-benzyl ester O4-tert-butyl ester Formula: C21H31NO5 MolecularWeight: 377.47454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO5/c1-14(2)19(22)17(23)11-16(12-18(24)27-21(3,4)5)20(25)26-13-15-9-7-6-8-10-15/h6-10,14,16,19H,11-13,22H2,1-5H3/t16-,19-/m0/s1