2-azanyl-1-[2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanoyl]-1,3-dihydroindene-2-carboxylic acid

Systemtic Name: 2-azanyl-1-[2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanoyl]-1,3-dihydroindene-2-carboxylic acid Openeye Name: 2-amino-1-[2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanoyl]indane-2-carboxylic acid CAS Name: 2-amino-1-[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]-1,3-dihydroindene-2-carboxylic acid IUPAC Name: 2-amino-1-[2-[(2-formamido-4-methylsulfanylbutanoyl)amino]-4-methylpentanoyl]-1,3-dihydroindene-2-carboxylic acid Traditional Name: 2-amino-1-[2-[[2-formamido-4-(methylthio)butanoyl]amino]-4-methyl-pentanoyl]indane-2-carboxylic acid Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1C2=CC=CC=C2CC1(C(=O)O)N)NC(=O)C(CCSC)NC=O

Isomeric SMILES

CC(C)CC(C(=O)C1C2=CC=CC=C2CC1(C(=O)O)N)NC(=O)C(CCSC)NC=O

InChI

InChI=1S/C22H31N3O5S/c1-13(2)10-17(25-20(28)16(24-12-26)8-9-31-3)19(27)18-15-7-5-4-6-14(15)11-22(18,23)21(29)30/h4-7,12-13,16-18H,8-11,23H2,1-3H3,(H,24,26)(H,25,28)(H,29,30)