methyl (2R)-2-[2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-4-methyl-2-[[2-[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]pentanoate CAS Name: (2R)-2-[[2-[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N[C@H](CC(C)C)C(=O)OC

InChI

InChI=1S/C21H29N3O4S/c1-6-14(4)24-19(26)15-9-7-8-10-16(15)23-21(24)29-12-18(25)22-17(11-13(2)3)20(27)28-5/h7-10,13-14,17H,6,11-12H2,1-5H3,(H,22,25)/t14-,17+/m0/s1