2-[[2-[[2-(2-azanylpropanoylamino)-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[[2-(2-azanylpropanoylamino)-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[[2-(2-aminopropanoylamino)-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]acetic acid CAS Name: 2-[[2-[[2-[(2-amino-1-oxopropyl)amino]-4-methyl-1-oxopentyl]amino]-4-(methylthio)-1-oxobutyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetic acid Traditional Name: 2-[[2-[[2-(alanylamino)-4-methyl-pentanoyl]amino]-4-(methylthio)butanoyl]amino]acetic acid Formula: C16H30N4O5S MolecularWeight: 390.4982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30N4O5S/c1-9(2)7-12(20-14(23)10(3)17)16(25)19-11(5-6-26-4)15(24)18-8-13(21)22/h9-12H,5-8,17H2,1-4H3,(H,18,24)(H,19,25)(H,20,23)(H,21,22)