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

Systemtic Name: 2-azanyl-3-[1-(2-azanyl-3-methyl-butanoyl)-2-(2-azanyl-4-methylsulfanyl-butanoyl)-4-(phenylcarbonyl)indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[1-(2-amino-3-methyl-butanoyl)-2-(2-amino-4-methylsulfanyl-butanoyl)-4-benzoyl-indol-3-yl]propanoic acid CAS Name: 2-amino-3-[1-(2-amino-3-methyl-1-oxobutyl)-2-[2-amino-4-(methylthio)-1-oxobutyl]-4-benzoyl-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[1-(2-amino-3-methylbutanoyl)-2-(2-amino-4-methylsulfanylbutanoyl)-4-benzoylindol-3-yl]propanoic acid Traditional Name: 2-amino-3-[1-(2-amino-3-methyl-butanoyl)-2-[2-amino-4-(methylthio)butanoyl]-4-benzoyl-indol-3-yl]propionic acid Formula: C28H34N4O5S MolecularWeight: 538.65836

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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)C(=O)C3=CC=CC=C3)N

Isomeric SMILES

CC(C)C(C(=O)N1C2=CC=CC(=C2C(=C1C(=O)C(CCSC)N)CC(C(=O)O)N)C(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C28H34N4O5S/c1-15(2)23(31)27(35)32-21-11-7-10-17(25(33)16-8-5-4-6-9-16)22(21)18(14-20(30)28(36)37)24(32)26(34)19(29)12-13-38-3/h4-11,15,19-20,23H,12-14,29-31H2,1-3H3,(H,36,37)