(2S)-2-azanyl-5-[4-[3-(3-methylphenoxy)propanoyl]piperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[4-[3-(3-methylphenoxy)propanoyl]piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[4-[3-(3-methylphenoxy)propanoyl]piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-[3-(3-methylphenoxy)-1-oxopropyl]-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-[3-(3-methylphenoxy)propanoyl]piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-[4-[3-(3-methylphenoxy)propanoyl]piperazino]valeric acid Formula: C19H27N3O5 MolecularWeight: 377.43478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC(=O)N2CCN(CC2)C(=O)CCC(C(=O)O)N

Isomeric SMILES

CC1=CC(=CC=C1)OCCC(=O)N2CCN(CC2)C(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C19H27N3O5/c1-14-3-2-4-15(13-14)27-12-7-18(24)22-10-8-21(9-11-22)17(23)6-5-16(20)19(25)26/h2-4,13,16H,5-12,20H2,1H3,(H,25,26)/t16-/m0/s1