ethyl (3S)-1-[(2R)-2-[(2-azanyl-2-methyl-propanoyl)amino]-3-phenylmethoxy-propanoyl]-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2R)-2-[(2-azanyl-2-methyl-propanoyl)amino]-3-phenylmethoxy-propanoyl]-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(2R)-2-[(2-amino-2-methyl-propanoyl)amino]-3-benzyloxy-propanoyl]-3-benzyl-piperidine-3-carboxylate CAS Name: (3S)-1-[(2R)-2-[(2-amino-2-methyl-1-oxopropyl)amino]-1-oxo-3-phenylmethoxypropyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-phenylmethoxypropanoyl]-3-benzylpiperidine-3-carboxylate Traditional Name: (3S)-1-[(2R)-2-[(2-amino-2-methyl-propanoyl)amino]-3-benzoxy-propanoyl]-3-benzyl-nipecotic acid ethyl ester Formula: C29H39N3O5 MolecularWeight: 509.63706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C(COCC2=CC=CC=C2)NC(=O)C(C)(C)N)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)[C@@H](COCC2=CC=CC=C2)NC(=O)C(C)(C)N)CC3=CC=CC=C3

InChI

InChI=1S/C29H39N3O5/c1-4-37-27(35)29(18-22-12-7-5-8-13-22)16-11-17-32(21-29)25(33)24(31-26(34)28(2,3)30)20-36-19-23-14-9-6-10-15-23/h5-10,12-15,24H,4,11,16-21,30H2,1-3H3,(H,31,34)/t24-,29+/m1/s1