2-[[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-3-oxidanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-[[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-3-oxidanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]-3-hydroxy-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[[2-[[2-amino-4-(methylthio)butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C14H23N5O5S MolecularWeight: 373.42792

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CO)C(=O)NC(CC1=CN=CN1)C(=O)O)N

Isomeric SMILES

CSCCC(C(=O)NC(CO)C(=O)NC(CC1=CN=CN1)C(=O)O)N

InChI

InChI=1S/C14H23N5O5S/c1-25-3-2-9(15)12(21)19-11(6-20)13(22)18-10(14(23)24)4-8-5-16-7-17-8/h5,7,9-11,20H,2-4,6,15H2,1H3,(H,16,17)(H,18,22)(H,19,21)(H,23,24)