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

Systemtic Name: 3-[[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1H-indol-5-yl]-(phenylmethyl)amino]propanoic acid Openeye Name: 3-[[3-(2-amino-2-oxo-ethyl)-2-methyl-1H-indol-5-yl]-benzyl-amino]propanoic acid CAS Name: 3-[[3-(2-amino-2-oxoethyl)-2-methyl-1H-indol-5-yl]-(phenylmethyl)amino]propanoic acid IUPAC Name: 3-[[3-(2-amino-2-oxoethyl)-2-methyl-1H-indol-5-yl]-benzylamino]propanoic acid Traditional Name: 3-[[3-(2-amino-2-keto-ethyl)-2-methyl-1H-indol-5-yl]-benzyl-amino]propionic acid Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)N(CCC(=O)O)CC3=CC=CC=C3)CC(=O)N

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)N(CCC(=O)O)CC3=CC=CC=C3)CC(=O)N

InChI

InChI=1S/C21H23N3O3/c1-14-17(12-20(22)25)18-11-16(7-8-19(18)23-14)24(10-9-21(26)27)13-15-5-3-2-4-6-15/h2-8,11,23H,9-10,12-13H2,1H3,(H2,22,25)(H,26,27)