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

Systemtic Name: (2R,3S)-2-but-3-enyl-N-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-oxidanyl-heptanamide Openeye Name: (2R,3S)-2-but-3-enyl-3-hydroxy-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]heptanamide CAS Name: (2R,3S)-2-but-3-enyl-3-hydroxy-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]heptanamide IUPAC Name: (2R,3S)-2-but-3-enyl-3-hydroxy-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]heptanamide Traditional Name: (2R)-2-[(1S)-1-hydroxypentyl]-N-[(3S)-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl]hex-5-enamide Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O3/c1-4-6-15-21(23(31)18-7-5-2)26(32)29-25-27(33)30(3)22-17-12-11-16-20(22)24(28-25)19-13-9-8-10-14-19/h4,8-14,16-17,21,23,25,31H,1,5-7,15,18H2,2-3H3,(H,29,32)/t21-,23+,25-/m1/s1