sodium (3R)-3-[[(2R)-1-[[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-methoxy-2-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: sodium (3R)-3-[[(2R)-1-[[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-methoxy-2-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium (3R)-3-[[(1R)-2-[[(4S)-4-amino-5-hydroxy-5-oxo-pentanoyl]amino]-1-methyl-2-oxo-ethyl]amino]-3-methoxy-2-oxo-azetidine-1-sulfonate CAS Name: sodium (3R)-3-[[(2R)-1-[[(4S)-4-amino-5-hydroxy-1,5-dioxopentyl]amino]-1-oxopropan-2-yl]amino]-3-methoxy-2-oxo-1-azetidinesulfonate IUPAC Name: sodium (3R)-3-[[(2R)-1-[[(4S)-4-amino-5-hydroxy-5-oxopentanoyl]amino]-1-oxopropan-2-yl]amino]-3-methoxy-2-oxoazetidine-1-sulfonate Traditional Name: sodium (3R)-3-[[(1R)-2-[[(4S)-4-amino-5-hydroxy-5-keto-pentanoyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-3-methoxy-azetidine-1-sulfonate Formula: C12H19N4NaO9S MolecularWeight: 418.35543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC(=O)CC[C@@H](C(=O)O)N)N[C@]1(CN(C1=O)S(=O)(=O)[O-])OC.[Na+]

InChI

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