(2R)-2-[[2-[ethyl-(phenylmethyl)azaniumyl]-2-methyl-propanoyl]amino]-3-methyl-butanoate

Systemtic Name: (2R)-2-[[2-[ethyl-(phenylmethyl)azaniumyl]-2-methyl-propanoyl]amino]-3-methyl-butanoate Openeye Name: (2R)-2-[[2-[benzyl(ethyl)ammonio]-2-methyl-propanoyl]amino]-3-methyl-butanoate CAS Name: (2R)-2-[[2-[ethyl-(phenylmethyl)ammonio]-2-methyl-1-oxopropyl]amino]-3-methylbutanoate IUPAC Name: (2R)-2-[[2-[benzyl(ethyl)azaniumyl]-2-methylpropanoyl]amino]-3-methylbutanoate Traditional Name: (2R)-2-[[2-[benzyl(ethyl)ammonio]-2-methyl-propanoyl]amino]-3-methyl-butyrate Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)C(C)(C)C(=O)NC(C(C)C)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)C(C)(C)C(=O)N[C@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C18H28N2O3/c1-6-20(12-14-10-8-7-9-11-14)18(4,5)17(23)19-15(13(2)3)16(21)22/h7-11,13,15H,6,12H2,1-5H3,(H,19,23)(H,21,22)/t15-/m1/s1