methyl (2S)-3-methyl-2-[2-(phenylmethoxycarbonylamino)pentanoylamino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[2-(phenylmethoxycarbonylamino)pentanoylamino]butanoate Openeye Name: methyl (2S)-2-[2-(benzyloxycarbonylamino)pentanoylamino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[2-(phenylmethoxycarbonylamino)pentanoylamino]butanoate Traditional Name: (2S)-2-[2-(benzyloxycarbonylamino)pentanoylamino]-3-methyl-butyric acid methyl ester Formula: C19H28N2O5 MolecularWeight: 364.43602

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(C(C)C)C(=O)OC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCC(C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H28N2O5/c1-5-9-15(17(22)21-16(13(2)3)18(23)25-4)20-19(24)26-12-14-10-7-6-8-11-14/h6-8,10-11,13,15-16H,5,9,12H2,1-4H3,(H,20,24)(H,21,22)/t15?,16-/m0/s1