(2S)-2-[[1-[(2S)-2-azaniumyl-4-methyl-pentanoyl]piperidin-4-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[[1-[(2S)-2-azaniumyl-4-methyl-pentanoyl]piperidin-4-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: (2S)-2-[[1-[(2S)-2-azaniumyl-4-methyl-pentanoyl]piperidine-4-carbonyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[1-[(2S)-2-ammonio-4-methyl-1-oxopentyl]-4-piperidinyl]-oxomethyl]amino]-2-phenylacetate IUPAC Name: (2S)-2-[[1-[(2S)-2-azaniumyl-4-methylpentanoyl]piperidine-4-carbonyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[1-[(2S)-2-ammonio-4-methyl-pentanoyl]isonipecotoyl]amino]-2-phenyl-acetate Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCC(CC1)C(=O)NC(C2=CC=CC=C2)C(=O)[O-])[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@@H](C2=CC=CC=C2)C(=O)[O-])[NH3+]

InChI

InChI=1S/C20H29N3O4/c1-13(2)12-16(21)19(25)23-10-8-15(9-11-23)18(24)22-17(20(26)27)14-6-4-3-5-7-14/h3-7,13,15-17H,8-12,21H2,1-2H3,(H,22,24)(H,26,27)/t16-,17-/m0/s1