methyl 3-(4-methylphenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate

Systemtic Name: methyl 3-(4-methylphenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate Openeye Name: methyl 3-[[(2S)-2-(isopropoxycarbonylamino)-3-methyl-butanoyl]amino]-3-(p-tolyl)propanoate CAS Name: 3-[[(2S)-3-methyl-1-oxo-2-[[oxo(propan-2-yloxy)methyl]amino]butyl]amino]-3-(4-methylphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(4-methylphenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate Traditional Name: 3-[[(2S)-2-(isopropoxycarbonylamino)-3-methyl-butanoyl]amino]-3-(p-tolyl)propionic acid methyl ester Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC)NC(=O)C(C(C)C)NC(=O)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5/c1-12(2)18(22-20(25)27-13(3)4)19(24)21-16(11-17(23)26-6)15-9-7-14(5)8-10-15/h7-10,12-13,16,18H,11H2,1-6H3,(H,21,24)(H,22,25)/t16?,18-/m0/s1