tert-butyl N-[(2R)-1-[[(3R)-5-cycloheptyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-[[(3R)-5-cycloheptyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-benzyl-2-[[(3R)-5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[(2R)-1-[[(3R)-5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-[[(3R)-5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1R)-1-benzyl-2-[[(3R)-5-cycloheptyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C31H40N4O4 MolecularWeight: 532.6737

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4CCCCCC4)C

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H]2C(=O)N(C3=CC=CC=C3C(=N2)C4CCCCCC4)C

InChI

InChI=1S/C31H40N4O4/c1-31(2,3)39-30(38)32-24(20-21-14-8-7-9-15-21)28(36)34-27-29(37)35(4)25-19-13-12-18-23(25)26(33-27)22-16-10-5-6-11-17-22/h7-9,12-15,18-19,22,24,27H,5-6,10-11,16-17,20H2,1-4H3,(H,32,38)(H,34,36)/t24-,27+/m1/s1