5-methyl-3-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-2,2-bis(prop-2-enyl)hexanoic acid

Systemtic Name: 5-methyl-3-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-2,2-bis(prop-2-enyl)hexanoic acid Openeye Name: 2,2-diallyl-5-methyl-3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]hexanoic acid CAS Name: 5-methyl-3-[[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-oxomethyl]-2,2-bis(prop-2-enyl)hexanoic acid IUPAC Name: 5-methyl-3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-2,2-bis(prop-2-enyl)hexanoic acid Traditional Name: 2-allyl-2-[1-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-3-methyl-butyl]pent-4-enoic acid Formula: C30H35N3O4 MolecularWeight: 501.6166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3O4/c1-6-17-30(18-7-2,29(36)37)23(19-20(3)4)27(34)32-26-28(35)33(5)24-16-12-11-15-22(24)25(31-26)21-13-9-8-10-14-21/h6-16,20,23,26H,1-2,17-19H2,3-5H3,(H,32,34)(H,36,37)