(3R,4R)-3-[[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]carbonylamino]-4-oxidanyl-N-propan-2-yl-azepane-1-carboxamide

Systemtic Name: (3R,4R)-3-[[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]carbonylamino]-4-oxidanyl-N-propan-2-yl-azepane-1-carboxamide Openeye Name: (3R,4R)-3-[[4-(2-amino-2-oxo-ethoxy)benzoyl]amino]-4-hydroxy-N-isopropyl-azepane-1-carboxamide CAS Name: (3R,4R)-3-[[[4-(2-amino-2-oxoethoxy)phenyl]-oxomethyl]amino]-4-hydroxy-N-propan-2-yl-1-azepanecarboxamide IUPAC Name: (3R,4R)-3-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-4-hydroxy-N-propan-2-ylazepane-1-carboxamide Traditional Name: (3R,4R)-3-[[4-(2-amino-2-keto-ethoxy)benzoyl]amino]-4-hydroxy-N-isopropyl-azepane-1-carboxamide Formula: C19H28N4O5 MolecularWeight: 392.44942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCCC(C(C1)NC(=O)C2=CC=C(C=C2)OCC(=O)N)O

Isomeric SMILES

CC(C)NC(=O)N1CCC[C@H]([C@@H](C1)NC(=O)C2=CC=C(C=C2)OCC(=O)N)O

InChI

InChI=1S/C19H28N4O5/c1-12(2)21-19(27)23-9-3-4-16(24)15(10-23)22-18(26)13-5-7-14(8-6-13)28-11-17(20)25/h5-8,12,15-16,24H,3-4,9-11H2,1-2H3,(H2,20,25)(H,21,27)(H,22,26)/t15-,16-/m1/s1