methyl 2-[2-azanylpropanoyl-[2-(2,3-dihydro-1-benzothiophen-2-ylcarbonyl)phenyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[2-azanylpropanoyl-[2-(2,3-dihydro-1-benzothiophen-2-ylcarbonyl)phenyl]amino]-4-methyl-pentanoate Openeye Name: methyl 2-[N-(2-aminopropanoyl)-2-(2,3-dihydrobenzothiophene-2-carbonyl)anilino]-4-methyl-pentanoate CAS Name: 2-[N-(2-amino-1-oxopropyl)-2-[2,3-dihydro-1-benzothiophen-2-yl(oxo)methyl]anilino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[N-(2-aminopropanoyl)-2-(2,3-dihydro-1-benzothiophene-2-carbonyl)anilino]-4-methylpentanoate Traditional Name: 2-[N-alanyl-2-(2,3-dihydrobenzothiophene-2-carbonyl)anilino]-4-methyl-valeric acid methyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)N(C1=CC=CC=C1C(=O)C2CC3=CC=CC=C3S2)C(=O)C(C)N

Isomeric SMILES

CC(C)CC(C(=O)OC)N(C1=CC=CC=C1C(=O)C2CC3=CC=CC=C3S2)C(=O)C(C)N

InChI

InChI=1S/C25H30N2O4S/c1-15(2)13-20(25(30)31-4)27(24(29)16(3)26)19-11-7-6-10-18(19)23(28)22-14-17-9-5-8-12-21(17)32-22/h5-12,15-16,20,22H,13-14,26H2,1-4H3