2-azanyl-5-[2-[(3-methoxy-2-oxidanylidene-1-sulfo-azetidin-3-yl)amino]propanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[2-[(3-methoxy-2-oxidanylidene-1-sulfo-azetidin-3-yl)amino]propanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[2-[(3-methoxy-2-oxo-1-sulfo-azetidin-3-yl)amino]propanoylamino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[2-[(3-methoxy-2-oxo-1-sulfo-3-azetidinyl)amino]-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[2-[(3-methoxy-2-oxo-1-sulfoazetidin-3-yl)amino]propanoylamino]-5-oxopentanoic acid Traditional Name: 2-amino-5-keto-5-[2-[(2-keto-3-methoxy-1-sulfo-azetidin-3-yl)amino]propanoylamino]valeric acid Formula: C12H20N4O9S MolecularWeight: 396.3736

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

Isomeric SMILES

CC(C(=O)NC(=O)CCC(C(=O)O)N)NC1(CN(C1=O)S(=O)(=O)O)OC

InChI

InChI=1S/C12H20N4O9S/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)