4-[[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]amino]butanoic acid

Systemtic Name: 4-[[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]amino]butanoic acid Openeye Name: 4-[[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-5-yl]amino]butanoic acid CAS Name: 4-[[3-(2-amino-2-oxoethyl)-2-methyl-1-(phenylmethyl)-5-indolyl]amino]butanoic acid IUPAC Name: 4-[[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-5-yl]amino]butanoic acid Traditional Name: 4-[[3-(2-amino-2-keto-ethyl)-1-benzyl-2-methyl-indol-5-yl]amino]butyric acid Formula: C22H25N3O3 MolecularWeight: 379.4522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)NCCCC(=O)O)CC(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)NCCCC(=O)O)CC(=O)N

InChI

InChI=1S/C22H25N3O3/c1-15-18(13-21(23)26)19-12-17(24-11-5-8-22(27)28)9-10-20(19)25(15)14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,24H,5,8,11,13-14H2,1H3,(H2,23,26)(H,27,28)