2-[3-[(2-azanyl-3-phenyl-propanoyl)amino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethyl ethanoate

Systemtic Name: 2-[3-[(2-azanyl-3-phenyl-propanoyl)amino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethyl ethanoate Openeye Name: 2-[3-[(2-amino-3-phenyl-propanoyl)amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethyl acetate CAS Name: acetic acid 2-[3-[(2-amino-1-oxo-3-phenylpropyl)amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethyl ester IUPAC Name: 2-[3-[(2-amino-3-phenylpropanoyl)amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethyl acetate Traditional Name: acetic acid 2-[2-keto-5-phenyl-3-(phenylalanylamino)-3H-1,4-benzodiazepin-1-yl]ethyl ester Formula: C28H28N4O4 MolecularWeight: 484.54632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(CC3=CC=CC=C3)N)C4=CC=CC=C4

Isomeric SMILES

CC(=O)OCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(CC3=CC=CC=C3)N)C4=CC=CC=C4

InChI

InChI=1S/C28H28N4O4/c1-19(33)36-17-16-32-24-15-9-8-14-22(24)25(21-12-6-3-7-13-21)30-26(28(32)35)31-27(34)23(29)18-20-10-4-2-5-11-20/h2-15,23,26H,16-18,29H2,1H3,(H,31,34)