tert-butyl 5-methyl-3-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-2-prop-2-enyl-hexanoate

Systemtic Name: tert-butyl 5-methyl-3-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-2-prop-2-enyl-hexanoate Openeye Name: tert-butyl 2-allyl-5-methyl-3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]hexanoate CAS Name: 5-methyl-3-[[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-oxomethyl]-2-prop-2-enylhexanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-methyl-3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-2-prop-2-enylhexanoate Traditional Name: 2-[1-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-3-methyl-butyl]pent-4-enoic acid tert-butyl ester Formula: C31H39N3O4 MolecularWeight: 517.65906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H39N3O4/c1-8-14-22(30(37)38-31(4,5)6)24(19-20(2)3)28(35)33-27-29(36)34(7)25-18-13-12-17-23(25)26(32-27)21-15-10-9-11-16-21/h8-13,15-18,20,22,24,27H,1,14,19H2,2-7H3,(H,33,35)