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

Systemtic Name: 3-[[1,5-dimethyl-2,4-bis(oxidanylidene)-1,5-benzodiazepin-3-yl]carbamoyl]-5-methyl-2-prop-2-enyl-hexanoic acid Openeye Name: 2-allyl-3-[(1,5-dimethyl-2,4-dioxo-1,5-benzodiazepin-3-yl)carbamoyl]-5-methyl-hexanoic acid CAS Name: 3-[[(1,5-dimethyl-2,4-dioxo-1,5-benzodiazepin-3-yl)amino]-oxomethyl]-5-methyl-2-prop-2-enylhexanoic acid IUPAC Name: 3-[(1,5-dimethyl-2,4-dioxo-1,5-benzodiazepin-3-yl)carbamoyl]-5-methyl-2-prop-2-enylhexanoic acid Traditional Name: 2-[1-[(2,4-diketo-1,5-dimethyl-1,5-benzodiazepin-3-yl)carbamoyl]-3-methyl-butyl]pent-4-enoic acid Formula: C22H29N3O5 MolecularWeight: 415.48276

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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=C2N(C1=O)C)C

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)O)C(=O)NC1C(=O)N(C2=CC=CC=C2N(C1=O)C)C

InChI

InChI=1S/C22H29N3O5/c1-6-9-14(22(29)30)15(12-13(2)3)19(26)23-18-20(27)24(4)16-10-7-8-11-17(16)25(5)21(18)28/h6-8,10-11,13-15,18H,1,9,12H2,2-5H3,(H,23,26)(H,29,30)