2-[[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid; ethanoic acid

Systemtic Name: 2-[[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid; ethanoic acid Openeye Name: acetic acid; 2-[[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: acetic acid; 2-[[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: acetic acid; 2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid Traditional Name: acetic acid; 2-[[2-[[2-amino-4-(methylthio)butanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propionic acid Formula: C22H35N3O6S MolecularWeight: 469.5948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCSC)N.CC(=O)O

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCSC)N.CC(=O)O

InChI

InChI=1S/C20H31N3O4S.C2H4O2/c1-13(2)11-16(22-18(24)15(21)9-10-28-3)19(25)23-17(20(26)27)12-14-7-5-4-6-8-14;1-2(3)4/h4-8,13,15-17H,9-12,21H2,1-3H3,(H,22,24)(H,23,25)(H,26,27);1H3,(H,3,4)