ethyl (3S,4S)-4-[[(2S)-3-methyl-2-(pyridin-2-ylcarbonylamino)butanoyl]amino]-3-oxidanyl-5-phenyl-pentanoate

Systemtic Name: ethyl (3S,4S)-4-[[(2S)-3-methyl-2-(pyridin-2-ylcarbonylamino)butanoyl]amino]-3-oxidanyl-5-phenyl-pentanoate Openeye Name: ethyl (3S,4S)-3-hydroxy-4-[[(2S)-3-methyl-2-(pyridine-2-carbonylamino)butanoyl]amino]-5-phenyl-pentanoate CAS Name: (3S,4S)-3-hydroxy-4-[[(2S)-3-methyl-1-oxo-2-[[oxo(2-pyridinyl)methyl]amino]butyl]amino]-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl (3S,4S)-3-hydroxy-4-[[(2S)-3-methyl-2-(pyridine-2-carbonylamino)butanoyl]amino]-5-phenylpentanoate Traditional Name: (3S,4S)-3-hydroxy-4-[[(2S)-3-methyl-2-picolinamido-butanoyl]amino]-5-phenyl-valeric acid ethyl ester Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(CC1=CC=CC=C1)NC(=O)C(C(C)C)NC(=O)C2=CC=CC=N2)O

Isomeric SMILES

CCOC(=O)C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=N2)O

InChI

InChI=1S/C24H31N3O5/c1-4-32-21(29)15-20(28)19(14-17-10-6-5-7-11-17)26-24(31)22(16(2)3)27-23(30)18-12-8-9-13-25-18/h5-13,16,19-20,22,28H,4,14-15H2,1-3H3,(H,26,31)(H,27,30)/t19-,20-,22-/m0/s1