3-[(2S)-2-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]-4-methyl-pentanoyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid

Systemtic Name: 3-[(2S)-2-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]-4-methyl-pentanoyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid Openeye Name: 3-[(2S)-2-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]-4-methyl-pentanoyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid CAS Name: 3-[(2S)-2-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]-4-methyl-1-oxopentyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid IUPAC Name: 3-[(2S)-2-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]-4-methylpentanoyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid Traditional Name: 3-[(2S)-2-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]-4-methyl-pentanoyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid Formula: C18H28N4O4S MolecularWeight: 396.50432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1C2CCCCC2NC1C(=O)O)NC3=NC(=NS3)OC

Isomeric SMILES

CC(C)C[C@@H](C(=O)C1C2CCCCC2NC1C(=O)O)NC3=NC(=NS3)OC

InChI

InChI=1S/C18H28N4O4S/c1-9(2)8-12(20-18-21-17(26-3)22-27-18)15(23)13-10-6-4-5-7-11(10)19-14(13)16(24)25/h9-14,19H,4-8H2,1-3H3,(H,24,25)(H,20,21,22)/t10?,11?,12-,13?,14?/m0/s1