[(3S)-3-[[(2S)-4-methyl-2-(10H-phenothiazin-2-ylcarbonylamino)pentanoyl]amino]oxolan-2-yl] benzoate

Systemtic Name: [(3S)-3-[[(2S)-4-methyl-2-(10H-phenothiazin-2-ylcarbonylamino)pentanoyl]amino]oxolan-2-yl] benzoate Openeye Name: [(3S)-3-[[(2S)-4-methyl-2-(10H-phenothiazine-2-carbonylamino)pentanoyl]amino]tetrahydrofuran-2-yl] benzoate CAS Name: benzoic acid [(3S)-3-[[(2S)-4-methyl-1-oxo-2-[[oxo(10H-phenothiazin-2-yl)methyl]amino]pentyl]amino]-2-oxolanyl] ester IUPAC Name: [(3S)-3-[[(2S)-4-methyl-2-(10H-phenothiazine-2-carbonylamino)pentanoyl]amino]oxolan-2-yl] benzoate Traditional Name: benzoic acid [(3S)-3-[[(2S)-4-methyl-2-(10H-phenothiazine-2-carbonylamino)pentanoyl]amino]tetrahydrofuran-2-yl] ester Formula: C30H31N3O5S MolecularWeight: 545.64924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCOC1OC(=O)C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5N4

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@H]1CCOC1OC(=O)C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5N4

InChI

InChI=1S/C30H31N3O5S/c1-18(2)16-24(28(35)32-22-14-15-37-30(22)38-29(36)19-8-4-3-5-9-19)33-27(34)20-12-13-26-23(17-20)31-21-10-6-7-11-25(21)39-26/h3-13,17-18,22,24,30-31H,14-16H2,1-2H3,(H,32,35)(H,33,34)/t22-,24-,30?/m0/s1