ethyl (2S)-2-[[5-[[(2S)-1-ethoxy-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pyridin-3-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[[5-[[(2S)-1-ethoxy-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pyridin-3-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[5-[[(1S)-1-benzyl-2-ethoxy-2-oxo-ethyl]carbamoyl]pyridine-3-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[5-[[[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-3-pyridinyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[5-[[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyridine-3-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[5-[[(1S)-1-benzyl-2-ethoxy-2-keto-ethyl]carbamoyl]nicotinoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C29H31N3O6 MolecularWeight: 517.57294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=CN=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC(=CN=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C29H31N3O6/c1-3-37-28(35)24(15-20-11-7-5-8-12-20)31-26(33)22-17-23(19-30-18-22)27(34)32-25(29(36)38-4-2)16-21-13-9-6-10-14-21/h5-14,17-19,24-25H,3-4,15-16H2,1-2H3,(H,31,33)(H,32,34)/t24-,25-/m0/s1