ethyl (2S)-3-methyl-2-[[(2S)-1-oxidanylidene-3-phenyl-1-(pyridin-4-ylamino)propan-2-yl]carbamoylamino]butanoate

Systemtic Name: ethyl (2S)-3-methyl-2-[[(2S)-1-oxidanylidene-3-phenyl-1-(pyridin-4-ylamino)propan-2-yl]carbamoylamino]butanoate Openeye Name: ethyl (2S)-2-[[(1S)-1-benzyl-2-oxo-2-(4-pyridylamino)ethyl]carbamoylamino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[oxo-[[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylamino)propan-2-yl]amino]methyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-methyl-2-[[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylamino)propan-2-yl]carbamoylamino]butanoate Traditional Name: (2S)-2-[[(1S)-1-benzyl-2-keto-2-(4-pyridylamino)ethyl]carbamoylamino]-3-methyl-butyric acid ethyl ester Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)NC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=NC=C2

Isomeric SMILES

CCOC(=O)[C@H](C(C)C)NC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC2=CC=NC=C2

InChI

InChI=1S/C22H28N4O4/c1-4-30-21(28)19(15(2)3)26-22(29)25-18(14-16-8-6-5-7-9-16)20(27)24-17-10-12-23-13-11-17/h5-13,15,18-19H,4,14H2,1-3H3,(H,23,24,27)(H2,25,26,29)/t18-,19-/m0/s1