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

Systemtic Name: 2-azanyl-3-[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-5-methoxy-1-(3-sulfanylpropanoyl)indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[2-(5-bromoindan-1-yl)-5-methoxy-1-(3-sulfanylpropanoyl)indol-3-yl]propanoic acid CAS Name: 2-amino-3-[2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-(3-mercapto-1-oxopropyl)-5-methoxy-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5-methoxy-1-(3-sulfanylpropanoyl)indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[2-(5-bromoindan-1-yl)-1-(3-mercaptopropanoyl)-5-methoxy-indol-3-yl]propionic acid Formula: C24H25BrN2O4S MolecularWeight: 517.4353

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=C2CC(C(=O)O)N)C3CCC4=C3C=CC(=C4)Br)C(=O)CCS

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=C2CC(C(=O)O)N)C3CCC4=C3C=CC(=C4)Br)C(=O)CCS

InChI

InChI=1S/C24H25BrN2O4S/c1-31-15-4-7-21-18(11-15)19(12-20(26)24(29)30)23(27(21)22(28)8-9-32)17-5-2-13-10-14(25)3-6-16(13)17/h3-4,6-7,10-11,17,20,32H,2,5,8-9,12,26H2,1H3,(H,29,30)