methyl (2S)-2-[[(2S,3R)-2-azanyl-3-phenylmethoxy-butanoyl]-methyl-amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2S,3R)-2-azanyl-3-phenylmethoxy-butanoyl]-methyl-amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(2S,3R)-2-amino-3-benzyloxy-butanoyl]-methyl-amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S,3R)-2-amino-1-oxo-3-phenylmethoxybutyl]-methylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S,3R)-2-amino-3-phenylmethoxybutanoyl]-methylamino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S,3R)-2-amino-3-benzoxy-butanoyl]-methyl-amino]-3-methyl-butyric acid methyl ester Formula: C18H28N2O4 MolecularWeight: 336.42592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4/c1-12(2)16(18(22)23-5)20(4)17(21)15(19)13(3)24-11-14-9-7-6-8-10-14/h6-10,12-13,15-16H,11,19H2,1-5H3/t13-,15+,16+/m1/s1