5-[[2-methyl-1-oxidanylidene-1-[(2-oxidanylidene-1-sulfonato-azetidin-3-yl)amino]-3-phenyl-propan-2-yl]amino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoate; pyridin-1-ium

Systemtic Name: 5-[[2-methyl-1-oxidanylidene-1-[(2-oxidanylidene-1-sulfonato-azetidin-3-yl)amino]-3-phenyl-propan-2-yl]amino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoate; pyridin-1-ium Openeye Name: 5-[[1-benzyl-1-methyl-2-oxo-2-[(2-oxo-1-sulfonato-azetidin-3-yl)amino]ethyl]amino]-2-(benzyloxycarbonylamino)-5-oxo-pentanoate; pyridin-1-ium CAS Name: 5-[[2-methyl-1-oxo-1-[(2-oxo-1-sulfonato-3-azetidinyl)amino]-3-phenylpropan-2-yl]amino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate; pyridin-1-ium IUPAC Name: 5-[[2-methyl-1-oxo-1-[(2-oxo-1-sulfonatoazetidin-3-yl)amino]-3-phenylpropan-2-yl]amino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate; pyridin-1-ium Traditional Name: 5-[[1-benzyl-2-keto-2-[(2-keto-1-sulfonato-azetidin-3-yl)amino]-1-methyl-ethyl]amino]-2-(benzyloxycarbonylamino)-5-keto-valerate; pyridin-1-ium Formula: C36H40N6O10S MolecularWeight: 748.802

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)(C(=O)NC2CN(C2=O)S(=O)(=O)[O-])NC(=O)CCC(C(=O)[O-])NC(=O)OCC3=CC=CC=C3.C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1

Isomeric SMILES

CC(CC1=CC=CC=C1)(C(=O)NC2CN(C2=O)S(=O)(=O)[O-])NC(=O)CCC(C(=O)[O-])NC(=O)OCC3=CC=CC=C3.C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1

InChI

InChI=1S/C26H30N4O10S.2C5H5N/c1-26(14-17-8-4-2-5-9-17,24(35)27-20-15-30(22(20)32)41(37,38)39)29-21(31)13-12-19(23(33)34)28-25(36)40-16-18-10-6-3-7-11-18;2*1-2-4-6-5-3-1/h2-11,19-20H,12-16H2,1H3,(H,27,35)(H,28,36)(H,29,31)(H,33,34)(H,37,38,39);2*1-5H