2-[[1-[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[1-[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[1-[2-[(2-amino-3-hydroxy-propanoyl)amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[1-[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[1-[2-[(2-amino-3-hydroxypropanoyl)amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[1-[2-[(2-amino-3-hydroxy-propanoyl)amino]-4-methyl-pentanoyl]prolyl]amino]-4-(methylthio)butyric acid Formula: C19H34N4O6S MolecularWeight: 446.56146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)NC(CCSC)C(=O)O)NC(=O)C(CO)N

Isomeric SMILES

CC(C)CC(C(=O)N1CCCC1C(=O)NC(CCSC)C(=O)O)NC(=O)C(CO)N

InChI

InChI=1S/C19H34N4O6S/c1-11(2)9-14(22-16(25)12(20)10-24)18(27)23-7-4-5-15(23)17(26)21-13(19(28)29)6-8-30-3/h11-15,24H,4-10,20H2,1-3H3,(H,21,26)(H,22,25)(H,28,29)