6-azanyl-2-[[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[[2-amino-4-(methylthio)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid Formula: C20H32N4O5S MolecularWeight: 440.55688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)O)N

Isomeric SMILES

CSCCC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)O)N

InChI

InChI=1S/C20H32N4O5S/c1-30-11-9-15(22)18(26)24-17(12-13-5-7-14(25)8-6-13)19(27)23-16(20(28)29)4-2-3-10-21/h5-8,15-17,25H,2-4,9-12,21-22H2,1H3,(H,23,27)(H,24,26)(H,28,29)