(3S)-2-[(2S)-2-(furan-2-ylcarbonylamino)-4-methyl-pentanoyl]-1,3-dihydropyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: (3S)-2-[(2S)-2-(furan-2-ylcarbonylamino)-4-methyl-pentanoyl]-1,3-dihydropyrido[3,4-b]indole-3-carboxylic acid Openeye Name: (3S)-2-[(2S)-2-(furan-2-carbonylamino)-4-methyl-pentanoyl]-1,3-dihydropyrido[3,4-b]indole-3-carboxylic acid CAS Name: (3S)-2-[(2S)-2-[[2-furanyl(oxo)methyl]amino]-4-methyl-1-oxopentyl]-1,3-dihydropyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: (3S)-2-[(2S)-2-(furan-2-carbonylamino)-4-methylpentanoyl]-1,3-dihydropyrido[3,4-b]indole-3-carboxylic acid Traditional Name: (3S)-2-[(2S)-2-(2-furoylamino)-4-methyl-pentanoyl]-1,3-dihydro-$b-carboline-3-carboxylic acid Formula: C23H23N3O5 MolecularWeight: 421.44582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CC2=NC3=CC=CC=C3C2=CC1C(=O)O)NC(=O)C4=CC=CO4

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CC2=NC3=CC=CC=C3C2=C[C@H]1C(=O)O)NC(=O)C4=CC=CO4

InChI

InChI=1S/C23H23N3O5/c1-13(2)10-17(25-21(27)20-8-5-9-31-20)22(28)26-12-18-15(11-19(26)23(29)30)14-6-3-4-7-16(14)24-18/h3-9,11,13,17,19H,10,12H2,1-2H3,(H,25,27)(H,29,30)/t17-,19-/m0/s1