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

Systemtic Name: 6-azanyl-2-[[1-[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]hexanoic acid Openeye Name: 6-amino-2-[[1-[2-[(2-amino-4-methyl-pentanoyl)amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid CAS Name: 6-amino-2-[[[1-[2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-mercapto-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[1-[2-[(2-amino-4-methylpentanoyl)amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[1-[2-[(2-amino-4-methyl-pentanoyl)amino]-3-mercapto-propanoyl]prolyl]amino]hexanoic acid Formula: C20H37N5O5S MolecularWeight: 459.60328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H37N5O5S/c1-12(2)10-13(22)17(26)24-15(11-31)19(28)25-9-5-7-16(25)18(27)23-14(20(29)30)6-3-4-8-21/h12-16,31H,3-11,21-22H2,1-2H3,(H,23,27)(H,24,26)(H,29,30)