6-azanyl-2-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]-3-hydroxy-propanoyl]amino]acetyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[[2-[(2-amino-3-mercapto-propanoyl)amino]-3-hydroxy-propanoyl]amino]acetyl]amino]hexanoic acid Formula: C14H27N5O6S MolecularWeight: 393.45908

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Descriptors Computed from Structure

Canonical SMILES:

C(CCN)CC(C(=O)O)NC(=O)CNC(=O)C(CO)NC(=O)C(CS)N

Isomeric SMILES

C(CCN)CC(C(=O)O)NC(=O)CNC(=O)C(CO)NC(=O)C(CS)N

InChI

InChI=1S/C14H27N5O6S/c15-4-2-1-3-9(14(24)25)18-11(21)5-17-13(23)10(6-20)19-12(22)8(16)7-26/h8-10,20,26H,1-7,15-16H2,(H,17,23)(H,18,21)(H,19,22)(H,24,25)