2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-N-[3-methyl-1-oxidanylidene-1-[(2-oxidanylideneoxan-3-yl)amino]pentan-2-yl]pentanamide

Systemtic Name: 2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-N-[3-methyl-1-oxidanylidene-1-[(2-oxidanylideneoxan-3-yl)amino]pentan-2-yl]pentanamide Openeye Name: 2-[(2-amino-3-sulfanyl-propyl)amino]-3-methyl-N-[2-methyl-1-[(2-oxotetrahydropyran-3-yl)carbamoyl]butyl]pentanamide CAS Name: 2-[(2-amino-3-mercaptopropyl)amino]-3-methyl-N-[3-methyl-1-oxo-1-[(2-oxo-3-oxanyl)amino]pentan-2-yl]pentanamide IUPAC Name: 2-[(2-amino-3-sulfanylpropyl)amino]-3-methyl-N-[3-methyl-1-oxo-1-[(2-oxooxan-3-yl)amino]pentan-2-yl]pentanamide Traditional Name: 2-[(2-amino-3-mercapto-propyl)amino]-N-[1-[(2-ketotetrahydropyran-3-yl)carbamoyl]-2-methyl-butyl]-3-methyl-valeramide Formula: C20H38N4O4S MolecularWeight: 430.60512

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC1CCCOC1=O)NCC(CS)N

Isomeric SMILES

CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC1CCCOC1=O)NCC(CS)N

InChI

InChI=1S/C20H38N4O4S/c1-5-12(3)16(22-10-14(21)11-29)18(25)24-17(13(4)6-2)19(26)23-15-8-7-9-28-20(15)27/h12-17,22,29H,5-11,21H2,1-4H3,(H,23,26)(H,24,25)