[(2S)-1-[[(6aS,8S)-2-(furan-2-yl)-6,12-bis(oxidanylidene)-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-methyl-azanium

Systemtic Name: [(2S)-1-[[(6aS,8S)-2-(furan-2-yl)-6,12-bis(oxidanylidene)-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-methyl-azanium Openeye Name: [(1S)-1-[[(6aS,8S)-2-(2-furyl)-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]carbamoyl]-3-methyl-butyl]-methyl-ammonium CAS Name: [(2S)-1-[[(6aS,8S)-2-(2-furanyl)-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylammonium IUPAC Name: [(2S)-1-[[(6aS,8S)-2-(furan-2-yl)-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylazanium Traditional Name: [(1S)-1-[[(6aS,8S)-2-(2-furyl)-6,12-diketo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]carbamoyl]-3-methyl-butyl]-methyl-ammonium Formula: C24H31N4O4+ MolecularWeight: 439.52734

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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)C4=CC=CO4)[NH2+]C

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)C4=CC=CO4)[NH2+]C

InChI

InChI=1S/C24H30N4O4/c1-14(2)11-19(25-3)22(29)26-16-8-9-28-20(13-16)23(30)27-18-7-6-15(12-17(18)24(28)31)21-5-4-10-32-21/h4-7,10,12,14,16,19-20,25H,8-9,11,13H2,1-3H3,(H,26,29)(H,27,30)/p+1/t16-,19-,20-/m0/s1