(4S,7S)-7-[[4-(oxidanylamino)-4-oxidanylidene-2-(phenylmethyl)butanoyl]amino]-6-oxidanylidene-2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine-4-carboxylic acid

Systemtic Name: (4S,7S)-7-[[4-(oxidanylamino)-4-oxidanylidene-2-(phenylmethyl)butanoyl]amino]-6-oxidanylidene-2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine-4-carboxylic acid Openeye Name: (4S,7S)-7-[[2-benzyl-4-(hydroxyamino)-4-oxo-butanoyl]amino]-6-oxo-2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine-4-carboxylic acid CAS Name: (4S,7S)-7-[[4-(hydroxyamino)-1,4-dioxo-2-(phenylmethyl)butyl]amino]-6-oxo-2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine-4-carboxylic acid IUPAC Name: (4S,7S)-7-[[2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]amino]-6-oxo-2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine-4-carboxylic acid Traditional Name: (4S,7S)-7-[[2-benzyl-4-(hydroxyamino)-4-keto-butanoyl]amino]-6-keto-2,3,4,7,8,9,10,10a-octahydro-1H-pyrid[1,2-a]azepine-4-carboxylic acid Formula: C22H29N3O6 MolecularWeight: 431.48216

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCCC(N2C(=O)C(C1)NC(=O)C(CC3=CC=CC=C3)CC(=O)NO)C(=O)O

Isomeric SMILES

C1C[C@@H](C(=O)N2[C@@H](CCCC2C1)C(=O)O)NC(=O)C(CC3=CC=CC=C3)CC(=O)NO

InChI

InChI=1S/C22H29N3O6/c26-19(24-31)13-15(12-14-6-2-1-3-7-14)20(27)23-17-10-4-8-16-9-5-11-18(22(29)30)25(16)21(17)28/h1-3,6-7,15-18,31H,4-5,8-13H2,(H,23,27)(H,24,26)(H,29,30)/t15?,16?,17-,18-/m0/s1