4-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-5-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-5-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-[(1-carboxy-3-methylsulfanyl-propyl)amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-5-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid Traditional Name: 4-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-[[1-carboxy-3-(methylthio)propyl]amino]-5-keto-valeric acid Formula: C21H28N4O6S MolecularWeight: 464.53522

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)N

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)N

InChI

InChI=1S/C21H28N4O6S/c1-32-9-8-17(21(30)31)25-20(29)16(6-7-18(26)27)24-19(28)14(22)10-12-11-23-15-5-3-2-4-13(12)15/h2-5,11,14,16-17,23H,6-10,22H2,1H3,(H,24,28)(H,25,29)(H,26,27)(H,30,31)