methyl (2S)-2-[[1-[(2S)-2-azanyl-4-methyl-pentanoyl]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[1-[(2S)-2-azanyl-4-methyl-pentanoyl]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[1-[(2S)-2-amino-4-methyl-pentanoyl]piperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[1-[(2S)-2-amino-4-methyl-1-oxopentyl]-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[1-[(2S)-2-amino-4-methyl-pentanoyl]isonipecotoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)N

InChI

InChI=1S/C22H33N3O4/c1-15(2)13-18(23)21(27)25-11-9-17(10-12-25)20(26)24-19(22(28)29-3)14-16-7-5-4-6-8-16/h4-8,15,17-19H,9-14,23H2,1-3H3,(H,24,26)/t18-,19-/m0/s1