6-azanyl-2-[2-[[4-azanyl-2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[2-[[4-azanyl-2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[4-amino-2-[(2-amino-3-sulfanyl-propanoyl)amino]-4-oxo-butanoyl]amino]acetyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[4-amino-2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1,4-dioxobutyl]amino]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[4-amino-2-[(2-amino-3-sulfanylpropanoyl)amino]-4-oxobutanoyl]amino]acetyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[[4-amino-2-[(2-amino-3-mercapto-propanoyl)amino]-4-keto-butanoyl]amino]acetyl]amino]hexanoic acid Formula: C15H28N6O6S MolecularWeight: 420.48442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H28N6O6S/c16-4-2-1-3-9(15(26)27)20-12(23)6-19-14(25)10(5-11(18)22)21-13(24)8(17)7-28/h8-10,28H,1-7,16-17H2,(H2,18,22)(H,19,25)(H,20,23)(H,21,24)(H,26,27)