(2S)-2-azanyl-5-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-[1-(4-methoxyphenyl)ethyl]-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-[4-[1-(4-methoxyphenyl)ethyl]piperazino]valeric acid Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC)N2CCN(CC2)C(=O)CCC(C(=O)O)N

Isomeric SMILES

CC(C1=CC=C(C=C1)OC)N2CCN(CC2)C(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C18H27N3O4/c1-13(14-3-5-15(25-2)6-4-14)20-9-11-21(12-10-20)17(22)8-7-16(19)18(23)24/h3-6,13,16H,7-12,19H2,1-2H3,(H,23,24)/t13?,16-/m0/s1