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

Systemtic Name: 2-azanyl-3-[1-(2-azanyl-3-methyl-butanoyl)-2-(2-azanyl-4-methylsulfanyl-butanoyl)indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[1-(2-amino-3-methyl-butanoyl)-2-(2-amino-4-methylsulfanyl-butanoyl)indol-3-yl]propanoic acid CAS Name: 2-amino-3-[1-(2-amino-3-methyl-1-oxobutyl)-2-[2-amino-4-(methylthio)-1-oxobutyl]-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[1-(2-amino-3-methylbutanoyl)-2-(2-amino-4-methylsulfanylbutanoyl)indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[1-(2-amino-3-methyl-butanoyl)-2-[2-amino-4-(methylthio)butanoyl]indol-3-yl]propionic acid Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1C2=CC=CC=C2C(=C1C(=O)C(CCSC)N)CC(C(=O)O)N)N

Isomeric SMILES

CC(C)C(C(=O)N1C2=CC=CC=C2C(=C1C(=O)C(CCSC)N)CC(C(=O)O)N)N

InChI

InChI=1S/C21H30N4O4S/c1-11(2)17(24)20(27)25-16-7-5-4-6-12(16)13(10-15(23)21(28)29)18(25)19(26)14(22)8-9-30-3/h4-7,11,14-15,17H,8-10,22-24H2,1-3H3,(H,28,29)