methyl (2S)-2-[[(2S)-2-azanyl-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-azanyl-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(2S)-2-amino-3-(4-benzyloxyphenyl)propanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-3-(4-phenylmethoxyphenyl)propyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-amino-3-(4-benzoxyphenyl)propanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-15(2)20(22(26)27-3)24-21(25)19(23)13-16-9-11-18(12-10-16)28-14-17-7-5-4-6-8-17/h4-12,15,19-20H,13-14,23H2,1-3H3,(H,24,25)/t19-,20-/m0/s1