(2S)-2-azanyl-N-[2-oxidanylidene-1-(3-phenoxypropyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide

Systemtic Name: (2S)-2-azanyl-N-[2-oxidanylidene-1-(3-phenoxypropyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide Openeye Name: (2S)-2-amino-N-[2-oxo-1-(3-phenoxypropyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide CAS Name: (2S)-2-amino-N-[2-oxo-1-(3-phenoxypropyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: (2S)-2-amino-N-[2-oxo-1-(3-phenoxypropyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide Traditional Name: (2S)-2-amino-N-[2-keto-1-(3-phenoxypropyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]propionamide Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CCCOC4=CC=CC=C4)N

Isomeric SMILES

C[C@@H](C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CCCOC4=CC=CC=C4)N

InChI

InChI=1S/C27H28N4O3/c1-19(28)26(32)30-25-27(33)31(17-10-18-34-21-13-6-3-7-14-21)23-16-9-8-15-22(23)24(29-25)20-11-4-2-5-12-20/h2-9,11-16,19,25H,10,17-18,28H2,1H3,(H,30,32)/t19-,25?/m0/s1