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

Systemtic Name: 5-methyl-3-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-2-prop-2-enyl-hexanoic acid Openeye Name: 2-allyl-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-prop-2-enylhexanoic acid IUPAC Name: 5-methyl-3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-2-prop-2-enylhexanoic acid Traditional Name: 2-[1-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-3-methyl-butyl]pent-4-enoic acid Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H31N3O4/c1-5-11-19(27(33)34)21(16-17(2)3)25(31)29-24-26(32)30(4)22-15-10-9-14-20(22)23(28-24)18-12-7-6-8-13-18/h5-10,12-15,17,19,21,24H,1,11,16H2,2-4H3,(H,29,31)(H,33,34)