2-azanyl-3-[1-(2-azanyl-3-methyl-butanoyl)-2-(2-azanyl-3-phenyl-propanoyl)-4-(phenylcarbonyl)indol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[1-(2-azanyl-3-methyl-butanoyl)-2-(2-azanyl-3-phenyl-propanoyl)-4-(phenylcarbonyl)indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[1-(2-amino-3-methyl-butanoyl)-2-(2-amino-3-phenyl-propanoyl)-4-benzoyl-indol-3-yl]propanoic acid CAS Name: 2-amino-3-[1-(2-amino-3-methyl-1-oxobutyl)-2-(2-amino-1-oxo-3-phenylpropyl)-4-benzoyl-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[1-(2-amino-3-methylbutanoyl)-2-(2-amino-3-phenylpropanoyl)-4-benzoylindol-3-yl]propanoic acid Traditional Name: 2-amino-3-[1-(2-amino-3-methyl-butanoyl)-4-benzoyl-2-phenylalanyl-indol-3-yl]propionic acid Formula: C32H34N4O5 MolecularWeight: 554.63616

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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)C(=O)C4=CC=CC=C4)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)C(=O)C4=CC=CC=C4)N

InChI

InChI=1S/C32H34N4O5/c1-18(2)27(35)31(39)36-25-15-9-14-21(29(37)20-12-7-4-8-13-20)26(25)22(17-24(34)32(40)41)28(36)30(38)23(33)16-19-10-5-3-6-11-19/h3-15,18,23-24,27H,16-17,33-35H2,1-2H3,(H,40,41)