methyl (2S)-3-(4-hydroxyphenyl)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate

Systemtic Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate Openeye Name: methyl (2S)-2-[[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C24H30N2O6 MolecularWeight: 442.5048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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