2-azanyl-3-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-1-(3-sulfanylpropanoyl)indol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-1-(3-sulfanylpropanoyl)indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[2-(5-methoxyindan-1-yl)-1-(3-sulfanylpropanoyl)indol-3-yl]propanoic acid CAS Name: 2-amino-3-[1-(3-mercapto-1-oxopropyl)-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-1-(3-sulfanylpropanoyl)indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[1-(3-mercaptopropanoyl)-2-(5-methoxyindan-1-yl)indol-3-yl]propionic acid Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(CC2)C3=C(C4=CC=CC=C4N3C(=O)CCS)CC(C(=O)O)N

Isomeric SMILES

COC1=CC2=C(C=C1)C(CC2)C3=C(C4=CC=CC=C4N3C(=O)CCS)CC(C(=O)O)N

InChI

InChI=1S/C24H26N2O4S/c1-30-15-7-9-16-14(12-15)6-8-18(16)23-19(13-20(25)24(28)29)17-4-2-3-5-21(17)26(23)22(27)10-11-31/h2-5,7,9,12,18,20,31H,6,8,10-11,13,25H2,1H3,(H,28,29)