[(3S)-3-[[3-[2-methyl-1-(quinolin-2-ylcarbonylamino)propyl]-5-(phenylmethyl)-4H-1,2-oxazol-5-yl]carbonylamino]-5-oxidanyl-2,5-bis(oxidanylidene)pentyl]azaniumylideneazanide

Systemtic Name: [(3S)-3-[[3-[2-methyl-1-(quinolin-2-ylcarbonylamino)propyl]-5-(phenylmethyl)-4H-1,2-oxazol-5-yl]carbonylamino]-5-oxidanyl-2,5-bis(oxidanylidene)pentyl]azaniumylideneazanide Openeye Name: [(3S)-3-[[5-benzyl-3-[2-methyl-1-(quinoline-2-carbonylamino)propyl]-4H-isoxazole-5-carbonyl]amino]-5-hydroxy-2,5-dioxo-pentyl]iminioazanide CAS Name: [(3S)-5-hydroxy-3-[[[3-[2-methyl-1-[[oxo(2-quinolinyl)methyl]amino]propyl]-5-(phenylmethyl)-4H-isoxazol-5-yl]-oxomethyl]amino]-2,5-dioxopentyl]iminioazanide IUPAC Name: [(3S)-3-[[5-benzyl-3-[2-methyl-1-(quinoline-2-carbonylamino)propyl]-4H-1,2-oxazole-5-carbonyl]amino]-5-hydroxy-2,5-dioxopentyl]azaniumylideneazanide Traditional Name: [(3S)-3-[[5-benzyl-3-[2-methyl-1-(quinaldoylamino)propyl]-2-isoxazoline-5-carbonyl]amino]-5-hydroxy-2,5-diketo-pentyl]iminioazanide Formula: C30H32N6O6 MolecularWeight: 572.61168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NOC(C1)(CC2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)C[NH+]=[N-])NC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)C(C1=NOC(C1)(CC2=CC=CC=C2)C(=O)N[C@@H](CC(=O)O)C(=O)C[NH+]=[N-])NC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C30H32N6O6/c1-18(2)27(35-28(40)22-13-12-20-10-6-7-11-21(20)33-22)24-16-30(42-36-24,15-19-8-4-3-5-9-19)29(41)34-23(14-26(38)39)25(37)17-32-31/h3-13,18,23,27,32H,14-17H2,1-2H3,(H,34,41)(H,35,40)(H,38,39)/t23-,27?,30?/m0/s1