2-azanyl-6-[[1-[(3-methyl-1-oxidanyl-1-oxidanylidene-but-3-en-2-yl)amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 2-azanyl-6-[[1-[(3-methyl-1-oxidanyl-1-oxidanylidene-but-3-en-2-yl)amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid Openeye Name: 2-amino-6-[[2-[(1-carboxy-2-methyl-allyl)amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-6-oxo-hexanoic acid CAS Name: 2-amino-6-[[1-[(1-hydroxy-3-methyl-1-oxobut-3-en-2-yl)amino]-3-mercapto-1-oxopropan-2-yl]amino]-6-oxohexanoic acid IUPAC Name: 2-amino-6-[[1-[(1-hydroxy-3-methyl-1-oxobut-3-en-2-yl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-6-oxohexanoic acid Traditional Name: 2-amino-6-[[2-[(1-carboxy-2-methyl-allyl)amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-6-keto-hexanoic acid Formula: C14H23N3O6S MolecularWeight: 361.41392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)O)NC(=O)C(CS)NC(=O)CCCC(C(=O)O)N

Isomeric SMILES

CC(=C)C(C(=O)O)NC(=O)C(CS)NC(=O)CCCC(C(=O)O)N

InChI

InChI=1S/C14H23N3O6S/c1-7(2)11(14(22)23)17-12(19)9(6-24)16-10(18)5-3-4-8(15)13(20)21/h8-9,11,24H,1,3-6,15H2,2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)