ethyl 2-[[3-[[(3R)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]methoxycarbonylamino]ethanoate

Systemtic Name: ethyl 2-[[3-[[(3R)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]methoxycarbonylamino]ethanoate Openeye Name: ethyl 2-[[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]methoxycarbonylamino]acetate CAS Name: 2-[[[3-[[[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]amino]-oxomethyl]amino]phenyl]methoxy-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]methoxycarbonylamino]acetate Traditional Name: 2-[[3-[[(3R)-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzyl]oxycarbonylamino]acetic acid ethyl ester Formula: C29H29N5O6 MolecularWeight: 543.57046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)OCC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)CNC(=O)OCC1=CC(=CC=C1)NC(=O)N[C@H]2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C

InChI

InChI=1S/C29H29N5O6/c1-3-39-24(35)17-30-29(38)40-18-19-10-9-13-21(16-19)31-28(37)33-26-27(36)34(2)23-15-8-7-14-22(23)25(32-26)20-11-5-4-6-12-20/h4-16,26H,3,17-18H2,1-2H3,(H,30,38)(H2,31,33,37)/t26-/m0/s1