4-methylsulfanyl-2-[2-(1,4,7,10-tetrazacyclododec-1-yl)ethanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2-(1,4,7,10-tetrazacyclododec-1-yl)ethanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-(1,4,7,10-tetrazacyclododec-1-yl)ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]butyric acid Formula: C15H31N5O3S MolecularWeight: 361.50334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CN1CCNCCNCCNCC1

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CN1CCNCCNCCNCC1

InChI

InChI=1S/C15H31N5O3S/c1-24-11-2-13(15(22)23)19-14(21)12-20-9-7-17-5-3-16-4-6-18-8-10-20/h13,16-18H,2-12H2,1H3,(H,19,21)(H,22,23)