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

Systemtic Name: 2-[[6-azanyl-2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]ethanoylamino]hexanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[6-amino-2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]acetyl]amino]hexanoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[6-amino-2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[6-amino-2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]acetyl]amino]hexanoyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[6-amino-2-[[2-[(2-amino-3-mercapto-propanoyl)amino]acetyl]amino]hexanoyl]amino]-3-hydroxy-butyric acid Formula: C15H29N5O6S MolecularWeight: 407.48566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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