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

Systemtic Name: methyl (2S)-2-[[(2R,3S)-2-azanyl-3-phenylmethoxy-butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2R,3S)-2-amino-3-benzyloxy-butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2R,3S)-2-amino-1-oxo-3-phenylmethoxybutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R,3S)-2-amino-3-phenylmethoxybutanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2R,3S)-2-amino-3-benzoxy-butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)N)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H]([C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)N)OCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O4/c1-15(27-14-17-11-7-4-8-12-17)19(22)20(24)23-18(21(25)26-2)13-16-9-5-3-6-10-16/h3-12,15,18-19H,13-14,22H2,1-2H3,(H,23,24)/t15-,18-,19+/m0/s1