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

Systemtic Name: 2-[[2-[[2-(2-azanylethanoylamino)-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[[2-[(2-aminoacetyl)amino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]acetic acid CAS Name: 2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-4-methyl-1-oxopentyl]amino]-4-(methylthio)-1-oxobutyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetic acid Traditional Name: 2-[[2-[[2-(glycylamino)-4-methyl-pentanoyl]amino]-4-(methylthio)butanoyl]amino]acetic acid Formula: C15H28N4O5S MolecularWeight: 376.47162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H28N4O5S/c1-9(2)6-11(18-12(20)7-16)15(24)19-10(4-5-25-3)14(23)17-8-13(21)22/h9-11H,4-8,16H2,1-3H3,(H,17,23)(H,18,20)(H,19,24)(H,21,22)