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

Systemtic Name: 2-[[1-[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[1-[2-[(2-amino-4-methyl-pentanoyl)amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[[1-[2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-mercapto-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[1-[2-[(2-amino-4-methylpentanoyl)amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[1-[2-[(2-amino-4-methyl-pentanoyl)amino]-3-mercapto-propanoyl]prolyl]amino]-3-hydroxy-butyric acid Formula: C18H32N4O6S MolecularWeight: 432.53488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N4O6S/c1-9(2)7-11(19)15(24)20-12(8-29)17(26)22-6-4-5-13(22)16(25)21-14(10(3)23)18(27)28/h9-14,23,29H,4-8,19H2,1-3H3,(H,20,24)(H,21,25)(H,27,28)