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

Systemtic Name: 2-[[1-[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[1-[2-[(2-amino-4-methyl-pentanoyl)amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[1-[2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-mercapto-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[1-[2-[(2-amino-4-methylpentanoyl)amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[1-[2-[(2-amino-4-methyl-pentanoyl)amino]-3-mercapto-propanoyl]prolyl]amino]-4-methyl-valeric acid Formula: C20H36N4O5S MolecularWeight: 444.58864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H36N4O5S/c1-11(2)8-13(21)17(25)23-15(10-30)19(27)24-7-5-6-16(24)18(26)22-14(20(28)29)9-12(3)4/h11-16,30H,5-10,21H2,1-4H3,(H,22,26)(H,23,25)(H,28,29)