methyl (3S)-3-[[(2S)-3-methyl-2-(quinolin-2-ylcarbonylamino)butanoyl]amino]-4-oxidanylidene-5-phenoxy-pentanoate

Systemtic Name: methyl (3S)-3-[[(2S)-3-methyl-2-(quinolin-2-ylcarbonylamino)butanoyl]amino]-4-oxidanylidene-5-phenoxy-pentanoate Openeye Name: methyl (3S)-3-[[(2S)-3-methyl-2-(quinoline-2-carbonylamino)butanoyl]amino]-4-oxo-5-phenoxy-pentanoate CAS Name: (3S)-3-[[(2S)-3-methyl-1-oxo-2-[[oxo(2-quinolinyl)methyl]amino]butyl]amino]-4-oxo-5-phenoxypentanoic acid methyl ester IUPAC Name: methyl (3S)-3-[[(2S)-3-methyl-2-(quinoline-2-carbonylamino)butanoyl]amino]-4-oxo-5-phenoxypentanoate Traditional Name: (3S)-4-keto-3-[[(2S)-3-methyl-2-(quinaldoylamino)butanoyl]amino]-5-phenoxy-valeric acid methyl ester Formula: C27H29N3O6 MolecularWeight: 491.53566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)OC)C(=O)COC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)OC)C(=O)COC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C27H29N3O6/c1-17(2)25(30-26(33)21-14-13-18-9-7-8-12-20(18)28-21)27(34)29-22(15-24(32)35-3)23(31)16-36-19-10-5-4-6-11-19/h4-14,17,22,25H,15-16H2,1-3H3,(H,29,34)(H,30,33)/t22-,25-/m0/s1