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

Systemtic Name: methyl (2S)-3-methyl-2-[2-(phenylmethoxycarbonylamino)hexanoylamino]butanoate Openeye Name: methyl (2S)-2-[2-(benzyloxycarbonylamino)hexanoylamino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2-(phenylmethoxycarbonylamino)hexyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[2-(phenylmethoxycarbonylamino)hexanoylamino]butanoate Traditional Name: (2S)-2-[2-(benzyloxycarbonylamino)hexanoylamino]-3-methyl-butyric acid methyl ester Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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