3-[(4R)-2-[7-(cyclopentylamino)-5-methoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid

Systemtic Name: 3-[(4R)-2-[7-(cyclopentylamino)-5-methoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid Openeye Name: 3-[(4R)-2-[7-(cyclopentylamino)-5-methoxy-1H-indol-2-yl]-4,5-dihydrothiazol-4-yl]propanoic acid CAS Name: 3-[(4R)-2-[7-(cyclopentylamino)-5-methoxy-1H-indol-2-yl]-4,5-dihydrothiazol-4-yl]propanoic acid IUPAC Name: 3-[(4R)-2-[7-(cyclopentylamino)-5-methoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid Traditional Name: 3-[(4R)-2-[7-(cyclopentylamino)-5-methoxy-1H-indol-2-yl]-2-thiazolin-4-yl]propionic acid Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C=C(N2)C3=NC(CS3)CCC(=O)O)NC4CCCC4

Isomeric SMILES

COC1=CC(=C2C(=C1)C=C(N2)C3=N[C@@H](CS3)CCC(=O)O)NC4CCCC4

InChI

InChI=1S/C20H25N3O3S/c1-26-15-8-12-9-17(20-22-14(11-27-20)6-7-18(24)25)23-19(12)16(10-15)21-13-4-2-3-5-13/h8-10,13-14,21,23H,2-7,11H2,1H3,(H,24,25)/t14-/m1/s1