3-azanyl-4-[[1-(carboxymethylamino)-3-[(E)-3-ethoxy-2-oxidanyl-3-oxidanylidene-prop-1-enyl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[1-(carboxymethylamino)-3-[(E)-3-ethoxy-2-oxidanyl-3-oxidanylidene-prop-1-enyl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[2-(carboxymethylamino)-1-[[(E)-3-ethoxy-2-hydroxy-3-oxo-prop-1-enyl]sulfanylmethyl]-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-(carboxymethylamino)-3-[[(E)-3-ethoxy-2-hydroxy-3-oxoprop-1-enyl]thio]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[1-(carboxymethylamino)-3-[(E)-3-ethoxy-2-hydroxy-3-oxoprop-1-enyl]sulfanyl-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[2-(carboxymethylamino)-1-[[[(E)-3-ethoxy-2-hydroxy-3-keto-prop-1-enyl]thio]methyl]-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C14H21N3O9S MolecularWeight: 407.39624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CSCC(C(=O)NCC(=O)O)NC(=O)C(CC(=O)O)N)O

Isomeric SMILES

CCOC(=O)/C(=C\SCC(C(=O)NCC(=O)O)NC(=O)C(CC(=O)O)N)/O

InChI

InChI=1S/C14H21N3O9S/c1-2-26-14(25)9(18)6-27-5-8(13(24)16-4-11(21)22)17-12(23)7(15)3-10(19)20/h6-8,18H,2-5,15H2,1H3,(H,16,24)(H,17,23)(H,19,20)(H,21,22)/b9-6+