6-azanyl-2-[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-4-methylsulfanyl-butanoyl]amino]ethanoylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-4-methylsulfanyl-butanoyl]amino]ethanoylamino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-4-methylsulfanyl-butanoyl]amino]acetyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-4-(methylthio)butanoyl]amino]acetyl]amino]hexanoic acid Formula: C19H37N5O5S MolecularWeight: 447.59258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCSC)C(=O)NCC(=O)NC(CCCCN)C(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CCSC)C(=O)NCC(=O)NC(CCCCN)C(=O)O)N

InChI

InChI=1S/C19H37N5O5S/c1-12(2)10-13(21)17(26)24-14(7-9-30-3)18(27)22-11-16(25)23-15(19(28)29)6-4-5-8-20/h12-15H,4-11,20-21H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)(H,28,29)