(4S,7S,12bS)-7-[[(2S)-2-(2-morpholin-4-ylethanoylsulfanyl)-3-phenyl-propanoyl]amino]-6-oxidanylidene-1,3,4,7,8,12b-hexahydro-[1,4]oxazino[3,4-a][2]benzazepine-4-carboxylic acid

Systemtic Name: (4S,7S,12bS)-7-[[(2S)-2-(2-morpholin-4-ylethanoylsulfanyl)-3-phenyl-propanoyl]amino]-6-oxidanylidene-1,3,4,7,8,12b-hexahydro-[1,4]oxazino[3,4-a][2]benzazepine-4-carboxylic acid Openeye Name: (4S,7S,12bS)-7-[[(2S)-2-(2-morpholinoacetyl)sulfanyl-3-phenyl-propanoyl]amino]-6-oxo-1,3,4,7,8,12b-hexahydro-[1,4]oxazino[3,4-a][2]benzazepine-4-carboxylic acid CAS Name: (4S,7S,12bS)-7-[[(2S)-2-[[2-(4-morpholinyl)-1-oxoethyl]thio]-1-oxo-3-phenylpropyl]amino]-6-oxo-1,3,4,7,8,12b-hexahydro-[1,4]oxazino[3,4-a][2]benzazepine-4-carboxylic acid IUPAC Name: (4S,7S,12bS)-7-[[(2S)-2-(2-morpholin-4-ylacetyl)sulfanyl-3-phenylpropanoyl]amino]-6-oxo-1,3,4,7,8,12b-hexahydro-[1,4]oxazino[3,4-a][2]benzazepine-4-carboxylic acid Traditional Name: (4S,7S,12bS)-6-keto-7-[[(2S)-2-[(2-morpholinoacetyl)thio]-3-phenyl-propanoyl]amino]-1,3,4,7,8,12b-hexahydro-[1,4]oxazino[3,4-a][2]benzazepine-4-carboxylic acid Formula: C29H33N3O7S MolecularWeight: 567.65322

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC(=O)SC(CC2=CC=CC=C2)C(=O)NC3CC4=CC=CC=C4C5COCC(N5C3=O)C(=O)O

Isomeric SMILES

C1COCCN1CC(=O)S[C@@H](CC2=CC=CC=C2)C(=O)N[C@H]3CC4=CC=CC=C4[C@H]5COC[C@H](N5C3=O)C(=O)O

InChI

InChI=1S/C29H33N3O7S/c33-26(16-31-10-12-38-13-11-31)40-25(14-19-6-2-1-3-7-19)27(34)30-22-15-20-8-4-5-9-21(20)23-17-39-18-24(29(36)37)32(23)28(22)35/h1-9,22-25H,10-18H2,(H,30,34)(H,36,37)/t22-,23+,24-,25-/m0/s1