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

Systemtic Name: 2-azanyl-3-[1-(2-azanyl-3-methyl-butanoyl)-2-(2-azanyl-4-methyl-pentanoyl)indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[1-(2-amino-3-methyl-butanoyl)-2-(2-amino-4-methyl-pentanoyl)indol-3-yl]propanoic acid CAS Name: 2-amino-3-[1-(2-amino-3-methyl-1-oxobutyl)-2-(2-amino-4-methyl-1-oxopentyl)-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[1-(2-amino-3-methylbutanoyl)-2-(2-amino-4-methylpentanoyl)indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[1-(2-amino-3-methyl-butanoyl)-2-(2-amino-4-methyl-pentanoyl)indol-3-yl]propionic acid Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1=C(C2=CC=CC=C2N1C(=O)C(C(C)C)N)CC(C(=O)O)N)N

Isomeric SMILES

CC(C)CC(C(=O)C1=C(C2=CC=CC=C2N1C(=O)C(C(C)C)N)CC(C(=O)O)N)N

InChI

InChI=1S/C22H32N4O4/c1-11(2)9-15(23)20(27)19-14(10-16(24)22(29)30)13-7-5-6-8-17(13)26(19)21(28)18(25)12(3)4/h5-8,11-12,15-16,18H,9-10,23-25H2,1-4H3,(H,29,30)