methyl 2-azanyl-5-[1-[2-(2-methyl-1H-imidazol-5-yl)ethanoylamino]-6-phenyl-cyclohexa-2,4-dien-1-yl]-4-methylsulfanyl-5-oxidanylidene-pentanoate

Systemtic Name: methyl 2-azanyl-5-[1-[2-(2-methyl-1H-imidazol-5-yl)ethanoylamino]-6-phenyl-cyclohexa-2,4-dien-1-yl]-4-methylsulfanyl-5-oxidanylidene-pentanoate Openeye Name: methyl 2-amino-5-[1-[[2-(2-methyl-1H-imidazol-5-yl)acetyl]amino]-6-phenyl-cyclohexa-2,4-dien-1-yl]-4-methylsulfanyl-5-oxo-pentanoate CAS Name: 2-amino-5-[1-[[2-(2-methyl-1H-imidazol-5-yl)-1-oxoethyl]amino]-6-phenyl-1-cyclohexa-2,4-dienyl]-4-(methylthio)-5-oxopentanoic acid methyl ester IUPAC Name: methyl 2-amino-5-[1-[[2-(2-methyl-1H-imidazol-5-yl)acetyl]amino]-6-phenylcyclohexa-2,4-dien-1-yl]-4-methylsulfanyl-5-oxopentanoate Traditional Name: 2-amino-5-keto-5-[1-[[2-(2-methyl-1H-imidazol-5-yl)acetyl]amino]-6-phenyl-cyclohexa-2,4-dien-1-yl]-4-(methylthio)valeric acid methyl ester Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1)CC(=O)NC2(C=CC=CC2C3=CC=CC=C3)C(=O)C(CC(C(=O)OC)N)SC

Isomeric SMILES

CC1=NC=C(N1)CC(=O)NC2(C=CC=CC2C3=CC=CC=C3)C(=O)C(CC(C(=O)OC)N)SC

InChI

InChI=1S/C25H30N4O4S/c1-16-27-15-18(28-16)13-22(30)29-25(23(31)21(34-3)14-20(26)24(32)33-2)12-8-7-11-19(25)17-9-5-4-6-10-17/h4-12,15,19-21H,13-14,26H2,1-3H3,(H,27,28)(H,29,30)