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

Systemtic Name: 2-[[1-[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[1-[2-[(2-amino-4-methyl-pentanoyl)amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[1-[2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-mercapto-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[1-[2-[(2-amino-4-methylpentanoyl)amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[1-[2-[(2-amino-4-methyl-pentanoyl)amino]-3-mercapto-propanoyl]prolyl]amino]-3-methyl-butyric acid Formula: C19H34N4O5S MolecularWeight: 430.56206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H34N4O5S/c1-10(2)8-12(20)16(24)21-13(9-29)18(26)23-7-5-6-14(23)17(25)22-15(11(3)4)19(27)28/h10-15,29H,5-9,20H2,1-4H3,(H,21,24)(H,22,25)(H,27,28)