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

Systemtic Name: methyl (2S)-2-[[(2S)-2-azanyl-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(2S)-2-amino-3-(4-benzyloxyphenyl)propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-3-(4-phenylmethoxyphenyl)propyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-amino-3-(4-benzoxyphenyl)propanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4/c1-16(2)13-21(23(27)28-3)25-22(26)20(24)14-17-9-11-19(12-10-17)29-15-18-7-5-4-6-8-18/h4-12,16,20-21H,13-15,24H2,1-3H3,(H,25,26)/t20-,21-/m0/s1