methyl (2S)-2-[[4-(1-adamantyl)quinolin-2-yl]carbonylamino]-5-azanyl-5-oxidanylidene-pentanoate

Systemtic Name: methyl (2S)-2-[[4-(1-adamantyl)quinolin-2-yl]carbonylamino]-5-azanyl-5-oxidanylidene-pentanoate Openeye Name: methyl (2S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-5-amino-5-oxo-pentanoate CAS Name: (2S)-2-[[[4-(1-adamantyl)-2-quinolinyl]-oxomethyl]amino]-5-amino-5-oxopentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-5-amino-5-oxopentanoate Traditional Name: (2S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-5-amino-5-keto-valeric acid methyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=O)N)NC(=O)C1=NC2=CC=CC=C2C(=C1)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)[C@H](CCC(=O)N)NC(=O)C1=NC2=CC=CC=C2C(=C1)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H31N3O4/c1-33-25(32)21(6-7-23(27)30)29-24(31)22-11-19(18-4-2-3-5-20(18)28-22)26-12-15-8-16(13-26)10-17(9-15)14-26/h2-5,11,15-17,21H,6-10,12-14H2,1H3,(H2,27,30)(H,29,31)/t15?,16?,17?,21-,26?/m0/s1