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

Systemtic Name: 2-azanyl-3-[1-(2-azanyl-3-methyl-butanoyl)-2-(2-azanyl-3-phenyl-propanoyl)indol-3-yl]propanoic acid hydrochloride Openeye Name: 2-amino-3-[1-(2-amino-3-methyl-butanoyl)-2-(2-amino-3-phenyl-propanoyl)indol-3-yl]propanoic acid hydrochloride CAS Name: 2-amino-3-[1-(2-amino-3-methyl-1-oxobutyl)-2-(2-amino-1-oxo-3-phenylpropyl)-3-indolyl]propanoic acid hydrochloride IUPAC Name: 2-amino-3-[1-(2-amino-3-methylbutanoyl)-2-(2-amino-3-phenylpropanoyl)indol-3-yl]propanoic acid hydrochloride Traditional Name: 2-amino-3-[1-(2-amino-3-methyl-butanoyl)-2-phenylalanyl-indol-3-yl]propionic acid hydrochloride Formula: C25H31ClN4O4 MolecularWeight: 486.99104

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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)N.Cl

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.Cl

InChI

InChI=1S/C25H30N4O4.ClH/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);1H