2-azanyl-3-[1-(2-azanyl-3-methyl-butanoyl)-2-(2-azanyl-3-phenyl-propanoyl)indol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[1-(2-azanyl-3-methyl-butanoyl)-2-(2-azanyl-3-phenyl-propanoyl)indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[1-(2-amino-3-methyl-butanoyl)-2-(2-amino-3-phenyl-propanoyl)indol-3-yl]propanoic acid CAS Name: 2-amino-3-[1-(2-amino-3-methyl-1-oxobutyl)-2-(2-amino-1-oxo-3-phenylpropyl)-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[1-(2-amino-3-methylbutanoyl)-2-(2-amino-3-phenylpropanoyl)indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[1-(2-amino-3-methyl-butanoyl)-2-phenylalanyl-indol-3-yl]propionic acid Formula: C25H30N4O4 MolecularWeight: 450.5301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1C2=CC=CC=C2C(=C1C(=O)C(CC3=CC=CC=C3)N)CC(C(=O)O)N)N

Isomeric SMILES

CC(C)C(C(=O)N1C2=CC=CC=C2C(=C1C(=O)C(CC3=CC=CC=C3)N)CC(C(=O)O)N)N

InChI

InChI=1S/C25H30N4O4/c1-14(2)21(28)24(31)29-20-11-7-6-10-16(20)17(13-19(27)25(32)33)22(29)23(30)18(26)12-15-8-4-3-5-9-15/h3-11,14,18-19,21H,12-13,26-28H2,1-2H3,(H,32,33)