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

Systemtic Name: 2-azanyl-3-phenyl-propanoic acid; 2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanoic acid Openeye Name: 2-amino-3-phenyl-propanoic acid; 2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanoic acid CAS Name: 2-amino-3-phenylpropanoic acid; 2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-amino-3-phenylpropanoic acid; 2-[(2-formamido-4-methylsulfanylbutanoyl)amino]-4-methylpentanoic acid Traditional Name: 2-amino-3-phenyl-propionic acid; 2-[[2-formamido-4-(methylthio)butanoyl]amino]-4-methyl-valeric acid Formula: C21H33N3O6S MolecularWeight: 455.56822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22N2O4S.C9H11NO2/c1-8(2)6-10(12(17)18)14-11(16)9(13-7-15)4-5-19-3;10-8(9(11)12)6-7-4-2-1-3-5-7/h7-10H,4-6H2,1-3H3,(H,13,15)(H,14,16)(H,17,18);1-5,8H,6,10H2,(H,11,12)