3-(5-methoxy-1H-indol-3-yl)-2-(3-sulfanylpropanoylamino)propanoic acid

Systemtic Name: 3-(5-methoxy-1H-indol-3-yl)-2-(3-sulfanylpropanoylamino)propanoic acid Openeye Name: 3-(5-methoxy-1H-indol-3-yl)-2-(3-sulfanylpropanoylamino)propanoic acid CAS Name: 2-[(3-mercapto-1-oxopropyl)amino]-3-(5-methoxy-1H-indol-3-yl)propanoic acid IUPAC Name: 3-(5-methoxy-1H-indol-3-yl)-2-(3-sulfanylpropanoylamino)propanoic acid Traditional Name: 2-(3-mercaptopropanoylamino)-3-(5-methoxy-1H-indol-3-yl)propionic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CC(C(=O)O)NC(=O)CCS

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CC(C(=O)O)NC(=O)CCS

InChI

InChI=1S/C15H18N2O4S/c1-21-10-2-3-12-11(7-10)9(8-16-12)6-13(15(19)20)17-14(18)4-5-22/h2-3,7-8,13,16,22H,4-6H2,1H3,(H,17,18)(H,19,20)