3-[[1-[2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoyl]piperazin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[1-[2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoyl]piperazin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-[(4-methoxybenzoyl)amino]-3-methyl-butanoyl]piperazine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-2-piperazinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]piperazine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[1-[3-methyl-2-(p-anisoylamino)butanoyl]piperazine-2-carbonyl]amino]butyric acid Formula: C22H30N4O7 MolecularWeight: 462.4962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCNCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C(C(=O)N1CCNCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H30N4O7/c1-13(2)19(25-20(30)14-4-6-16(33-3)7-5-14)22(32)26-9-8-23-11-17(26)21(31)24-15(12-27)10-18(28)29/h4-7,12-13,15,17,19,23H,8-11H2,1-3H3,(H,24,31)(H,25,30)(H,28,29)