2-azanyl-3-[1,2-bis(2-azanyl-3-methyl-butanoyl)indol-3-yl]propanoic acid hydrochloride

Systemtic Name: 2-azanyl-3-[1,2-bis(2-azanyl-3-methyl-butanoyl)indol-3-yl]propanoic acid hydrochloride Openeye Name: 2-amino-3-[1,2-bis(2-amino-3-methyl-butanoyl)indol-3-yl]propanoic acid hydrochloride CAS Name: 2-amino-3-[1,2-bis(2-amino-3-methyl-1-oxobutyl)-3-indolyl]propanoic acid hydrochloride IUPAC Name: 2-amino-3-[1,2-bis(2-amino-3-methylbutanoyl)indol-3-yl]propanoic acid hydrochloride Traditional Name: 2-amino-3-[1,2-bis(2-amino-3-methyl-butanoyl)indol-3-yl]propionic acid hydrochloride Formula: C21H31ClN4O4 MolecularWeight: 438.94824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O4.ClH/c1-10(2)16(23)19(26)18-13(9-14(22)21(28)29)12-7-5-6-8-15(12)25(18)20(27)17(24)11(3)4;/h5-8,10-11,14,16-17H,9,22-24H2,1-4H3,(H,28,29);1H