methyl (2S)-2-[[3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methyl-pentanoate Openeye Name: methyl (2S)-2-[[2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoate CAS Name: (2S)-2-[[3-(4-hydroxyphenyl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylpentanoate Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-valeric acid methyl ester Formula: C24H30N2O6 MolecularWeight: 442.5048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O6/c1-4-16(2)21(23(29)31-3)26-22(28)20(14-17-10-12-19(27)13-11-17)25-24(30)32-15-18-8-6-5-7-9-18/h5-13,16,20-21,27H,4,14-15H2,1-3H3,(H,25,30)(H,26,28)/t16?,20?,21-/m0/s1