2-[2-[[6-azanyl-2-[(2-azanyl-3-oxidanyl-propanoyl)amino]hexanoyl]amino]propanoylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[2-[[6-azanyl-2-[(2-azanyl-3-oxidanyl-propanoyl)amino]hexanoyl]amino]propanoylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[2-[[6-amino-2-[(2-amino-3-hydroxy-propanoyl)amino]hexanoyl]amino]propanoylamino]-3-sulfanyl-propanoic acid CAS Name: 2-[[2-[[6-amino-2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-1-oxohexyl]amino]-1-oxopropyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[2-[[6-amino-2-[(2-amino-3-hydroxypropanoyl)amino]hexanoyl]amino]propanoylamino]-3-sulfanylpropanoic acid Traditional Name: 2-[2-[[6-amino-2-[(2-amino-3-hydroxy-propanoyl)amino]hexanoyl]amino]propanoylamino]-3-mercapto-propionic acid Formula: C15H29N5O6S MolecularWeight: 407.48566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29N5O6S/c1-8(12(22)20-11(7-27)15(25)26)18-14(24)10(4-2-3-5-16)19-13(23)9(17)6-21/h8-11,21,27H,2-7,16-17H2,1H3,(H,18,24)(H,19,23)(H,20,22)(H,25,26)