(3S)-3-(2-azanylethanoylamino)-4-[[(E)-4-methoxy-4-oxidanylidene-but-2-enoyl]oxymethoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-(2-azanylethanoylamino)-4-[[(E)-4-methoxy-4-oxidanylidene-but-2-enoyl]oxymethoxy]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[(2-aminoacetyl)amino]-4-[[(E)-4-methoxy-4-oxo-but-2-enoyl]oxymethoxy]-4-oxo-butanoic acid CAS Name: (3S)-3-[(2-amino-1-oxoethyl)amino]-4-[[(E)-4-methoxy-1,4-dioxobut-2-enoxy]methoxy]-4-oxobutanoic acid IUPAC Name: (3S)-3-[(2-aminoacetyl)amino]-4-[[(E)-4-methoxy-4-oxobut-2-enoyl]oxymethoxy]-4-oxobutanoic acid Traditional Name: (3S)-3-(glycylamino)-4-keto-4-[[(E)-4-keto-4-methoxy-but-2-enoyl]oxymethoxy]butyric acid Formula: C12H16N2O9 MolecularWeight: 332.26344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)OCOC(=O)C(CC(=O)O)NC(=O)CN

Isomeric SMILES

COC(=O)/C=C/C(=O)OCOC(=O)[C@H](CC(=O)O)NC(=O)CN

InChI

InChI=1S/C12H16N2O9/c1-21-10(18)2-3-11(19)22-6-23-12(20)7(4-9(16)17)14-8(15)5-13/h2-3,7H,4-6,13H2,1H3,(H,14,15)(H,16,17)/b3-2+/t7-/m0/s1