(2S)-N-[(6aS,8S)-2-bromanyl-6,12-bis(oxidanylidene)-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-4-methyl-2-(methylamino)pentanamide

Systemtic Name: (2S)-N-[(6aS,8S)-2-bromanyl-6,12-bis(oxidanylidene)-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-4-methyl-2-(methylamino)pentanamide Openeye Name: (2S)-N-[(6aS,8S)-2-bromo-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-4-methyl-2-(methylamino)pentanamide CAS Name: (2S)-N-[(6aS,8S)-2-bromo-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-4-methyl-2-(methylamino)pentanamide IUPAC Name: (2S)-N-[(6aS,8S)-2-bromo-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-4-methyl-2-(methylamino)pentanamide Traditional Name: (2S)-N-[(6aS,8S)-2-bromo-6,12-diketo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-4-methyl-2-(methylamino)valeramide Formula: C20H27BrN4O3 MolecularWeight: 451.35738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCN2C(C1)C(=O)NC3=C(C2=O)C=C(C=C3)Br)NC

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@H]1CCN2[C@@H](C1)C(=O)NC3=C(C2=O)C=C(C=C3)Br)NC

InChI

InChI=1S/C20H27BrN4O3/c1-11(2)8-16(22-3)18(26)23-13-6-7-25-17(10-13)19(27)24-15-5-4-12(21)9-14(15)20(25)28/h4-5,9,11,13,16-17,22H,6-8,10H2,1-3H3,(H,23,26)(H,24,27)/t13-,16-,17-/m0/s1