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

Systemtic Name: 2-[[1-[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[1-[2-[(2-amino-4-methyl-pentanoyl)amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[1-[2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-mercapto-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[1-[2-[(2-amino-4-methylpentanoyl)amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[1-[2-[(2-amino-4-methyl-pentanoyl)amino]-3-mercapto-propanoyl]prolyl]amino]-4-(methylthio)butyric acid Formula: C19H34N4O5S2 MolecularWeight: 462.62706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H34N4O5S2/c1-11(2)9-12(20)16(24)22-14(10-29)18(26)23-7-4-5-15(23)17(25)21-13(19(27)28)6-8-30-3/h11-15,29H,4-10,20H2,1-3H3,(H,21,25)(H,22,24)(H,27,28)