(2R,3S)-2-ethyl-N-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-oxidanyl-heptanamide

Systemtic Name: (2R,3S)-2-ethyl-N-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-oxidanyl-heptanamide Openeye Name: (2R,3S)-2-ethyl-3-hydroxy-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]heptanamide CAS Name: (2R,3S)-2-ethyl-3-hydroxy-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]heptanamide IUPAC Name: (2R,3S)-2-ethyl-3-hydroxy-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]heptanamide Traditional Name: (2R,3S)-2-ethyl-3-hydroxy-N-[(3S)-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl]enanthamide Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)O

Isomeric SMILES

CCCC[C@@H]([C@@H](CC)C(=O)N[C@@H]1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)O

InChI

InChI=1S/C25H31N3O3/c1-4-6-16-21(29)18(5-2)24(30)27-23-25(31)28(3)20-15-11-10-14-19(20)22(26-23)17-12-8-7-9-13-17/h7-15,18,21,23,29H,4-6,16H2,1-3H3,(H,27,30)/t18-,21+,23-/m1/s1