2-azanyl-3-[5-(2-azanylpropanoyl)-6-ethanoyl-4-oxidanyl-3-thiophen-2-yl-cyclohexa-1,3,5-trien-1-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[5-(2-azanylpropanoyl)-6-ethanoyl-4-oxidanyl-3-thiophen-2-yl-cyclohexa-1,3,5-trien-1-yl]propanoic acid Openeye Name: 3-[6-acetyl-5-(2-aminopropanoyl)-4-hydroxy-3-(2-thienyl)cyclohexa-1,3,5-trien-1-yl]-2-amino-propanoic acid CAS Name: 3-[6-acetyl-5-(2-amino-1-oxopropyl)-4-hydroxy-3-thiophen-2-yl-1-cyclohexa-1,3,5-trienyl]-2-aminopropanoic acid IUPAC Name: 3-[6-acetyl-5-(2-aminopropanoyl)-4-hydroxy-3-thiophen-2-ylcyclohexa-1,3,5-trien-1-yl]-2-aminopropanoic acid Traditional Name: 3-[6-acetyl-5-alanyl-4-hydroxy-3-(2-thienyl)cyclohexa-1,3,5-trien-1-yl]-2-amino-propionic acid Formula: C18H19N2O5S MolecularWeight: 375.41886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(C(=[C]C(=C1C(=O)C)CC(C(=O)O)N)C2=CC=CS2)O)N

Isomeric SMILES

CC(C(=O)C1=C(C(=[C]C(=C1C(=O)C)CC(C(=O)O)N)C2=CC=CS2)O)N

InChI

InChI=1S/C18H19N2O5S/c1-8(19)16(22)15-14(9(2)21)10(7-12(20)18(24)25)6-11(17(15)23)13-4-3-5-26-13/h3-5,8,12,23H,7,19-20H2,1-2H3,(H,24,25)