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

Systemtic Name: 6-azanyl-2-[[4-azanyl-2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]propanoylamino]-4-oxidanylidene-butanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[4-amino-2-[2-[(2-amino-3-sulfanyl-propanoyl)amino]propanoylamino]-4-oxo-butanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[4-amino-2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxopropyl]amino]-1,4-dioxobutyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[4-amino-2-[2-[(2-amino-3-sulfanylpropanoyl)amino]propanoylamino]-4-oxobutanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[4-amino-2-[2-[(2-amino-3-mercapto-propanoyl)amino]propanoylamino]-4-keto-butanoyl]amino]hexanoic acid Formula: C16H30N6O6S MolecularWeight: 434.511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30N6O6S/c1-8(20-14(25)9(18)7-29)13(24)22-11(6-12(19)23)15(26)21-10(16(27)28)4-2-3-5-17/h8-11,29H,2-7,17-18H2,1H3,(H2,19,23)(H,20,25)(H,21,26)(H,22,24)(H,27,28)