4-[[2-(2-azanyl-1-oxidanyl-2-oxidanylidene-ethyl)-4-methyl-pentanoyl]amino]-3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepine-1-carboxylic acid

Systemtic Name: 4-[[2-(2-azanyl-1-oxidanyl-2-oxidanylidene-ethyl)-4-methyl-pentanoyl]amino]-3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepine-1-carboxylic acid Openeye Name: 4-[[2-(2-amino-1-hydroxy-2-oxo-ethyl)-4-methyl-pentanoyl]amino]-3-oxo-1,2,4,5-tetrahydro-2-benzazepine-1-carboxylic acid CAS Name: 4-[[2-(2-amino-1-hydroxy-2-oxoethyl)-4-methyl-1-oxopentyl]amino]-3-oxo-1,2,4,5-tetrahydro-2-benzazepine-1-carboxylic acid IUPAC Name: 4-[[2-(2-amino-1-hydroxy-2-oxoethyl)-4-methylpentanoyl]amino]-3-oxo-1,2,4,5-tetrahydro-2-benzazepine-1-carboxylic acid Traditional Name: 4-[[2-(2-amino-1-hydroxy-2-keto-ethyl)-4-methyl-pentanoyl]amino]-3-keto-1,2,4,5-tetrahydro-2-benzazepine-1-carboxylic acid Formula: C19H25N3O6 MolecularWeight: 391.4183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(=O)N)O)C(=O)NC1CC2=CC=CC=C2C(NC1=O)C(=O)O

Isomeric SMILES

CC(C)CC(C(C(=O)N)O)C(=O)NC1CC2=CC=CC=C2C(NC1=O)C(=O)O

InChI

InChI=1S/C19H25N3O6/c1-9(2)7-12(15(23)16(20)24)17(25)21-13-8-10-5-3-4-6-11(10)14(19(27)28)22-18(13)26/h3-6,9,12-15,23H,7-8H2,1-2H3,(H2,20,24)(H,21,25)(H,22,26)(H,27,28)