sodium (2R)-2-azanyl-5-[[(2R)-1-[(3-methoxy-2-oxidanylidene-1-sulfo-azetidin-3-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: sodium (2R)-2-azanyl-5-[[(2R)-1-[(3-methoxy-2-oxidanylidene-1-sulfo-azetidin-3-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: sodium (2R)-2-amino-5-[[(1R)-2-[(3-methoxy-2-oxo-1-sulfo-azetidin-3-yl)amino]-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoate CAS Name: sodium (2R)-2-amino-5-[[(2R)-1-[(3-methoxy-2-oxo-1-sulfo-3-azetidinyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate IUPAC Name: sodium (2R)-2-amino-5-[[(2R)-1-[(3-methoxy-2-oxo-1-sulfoazetidin-3-yl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate Traditional Name: sodium (2R)-2-amino-5-keto-5-[[(1R)-2-keto-2-[(2-keto-3-methoxy-1-sulfo-azetidin-3-yl)amino]-1-methyl-ethyl]amino]valerate Formula: C12H19N4NaO9S MolecularWeight: 418.35543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CN(C1=O)S(=O)(=O)O)OC)NC(=O)CCC(C(=O)[O-])N.[Na+]

Isomeric SMILES

C[C@H](C(=O)NC1(CN(C1=O)S(=O)(=O)O)OC)NC(=O)CC[C@H](C(=O)[O-])N.[Na+]

InChI

InChI=1S/C12H20N4O9S.Na/c1-6(14-8(17)4-3-7(13)10(19)20)9(18)15-12(25-2)5-16(11(12)21)26(22,23)24;/h6-7H,3-5,13H2,1-2H3,(H,14,17)(H,15,18)(H,19,20)(H,22,23,24);/q;+1/p-1/t6-,7-,12?;/m1./s1