6-azanyl-2-[[2-[2-[(2-azanyl-3-oxidanylidene-butanoyl)amino]ethanoylamino]-3-sulfanyl-propanoyl]amino]hexanamide

Systemtic Name: 6-azanyl-2-[[2-[2-[(2-azanyl-3-oxidanylidene-butanoyl)amino]ethanoylamino]-3-sulfanyl-propanoyl]amino]hexanamide Openeye Name: 6-amino-2-[[2-[[2-[(2-amino-3-oxo-butanoyl)amino]acetyl]amino]-3-sulfanyl-propanoyl]amino]hexanamide CAS Name: 6-amino-2-[[2-[[2-[(2-amino-1,3-dioxobutyl)amino]-1-oxoethyl]amino]-3-mercapto-1-oxopropyl]amino]hexanamide IUPAC Name: 6-amino-2-[[2-[[2-[(2-amino-3-oxobutanoyl)amino]acetyl]amino]-3-sulfanylpropanoyl]amino]hexanamide Traditional Name: 6-amino-2-[[2-[[2-[(2-amino-3-keto-butanoyl)amino]acetyl]amino]-3-mercapto-propanoyl]amino]hexanamide Formula: C15H28N6O5S MolecularWeight: 404.48502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H28N6O5S/c1-8(22)12(17)15(26)19-6-11(23)20-10(7-27)14(25)21-9(13(18)24)4-2-3-5-16/h9-10,12,27H,2-7,16-17H2,1H3,(H2,18,24)(H,19,26)(H,20,23)(H,21,25)