methyl 4-methyl-2-[3-(phenylmethoxycarbonylamino)propylamino]pentanoate

Systemtic Name: methyl 4-methyl-2-[3-(phenylmethoxycarbonylamino)propylamino]pentanoate Openeye Name: methyl 2-[3-(benzyloxycarbonylamino)propylamino]-4-methyl-pentanoate CAS Name: 4-methyl-2-[3-(phenylmethoxycarbonylamino)propylamino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[3-(phenylmethoxycarbonylamino)propylamino]pentanoate Traditional Name: 2-[3-(benzyloxycarbonylamino)propylamino]-4-methyl-valeric acid methyl ester Formula: C18H28N2O4 MolecularWeight: 336.42592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NCCCNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C(=O)OC)NCCCNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H28N2O4/c1-14(2)12-16(17(21)23-3)19-10-7-11-20-18(22)24-13-15-8-5-4-6-9-15/h4-6,8-9,14,16,19H,7,10-13H2,1-3H3,(H,20,22)