3-[[[5-methylhexanoyl(oxidanyl)carbamoyl]-phenethyl-carbamoyl]amino]propanoic acid

Systemtic Name: 3-[[[5-methylhexanoyl(oxidanyl)carbamoyl]-phenethyl-carbamoyl]amino]propanoic acid Openeye Name: 3-[[[hydroxy(5-methylhexanoyl)carbamoyl]-phenethyl-carbamoyl]amino]propanoic acid CAS Name: 3-[[[[[hydroxy-(5-methyl-1-oxohexyl)amino]-oxomethyl]-phenethylamino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[[hydroxy(5-methylhexanoyl)carbamoyl]-phenethylcarbamoyl]amino]propanoic acid Traditional Name: 3-[[[hydroxy(5-methylhexanoyl)carbamoyl]-phenethyl-carbamoyl]amino]propionic acid Formula: C20H29N3O6 MolecularWeight: 407.46076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(=O)N(C(=O)N(CCC1=CC=CC=C1)C(=O)NCCC(=O)O)O

Isomeric SMILES

CC(C)CCCC(=O)N(C(=O)N(CCC1=CC=CC=C1)C(=O)NCCC(=O)O)O

InChI

InChI=1S/C20H29N3O6/c1-15(2)7-6-10-17(24)23(29)20(28)22(19(27)21-13-11-18(25)26)14-12-16-8-4-3-5-9-16/h3-5,8-9,15,29H,6-7,10-14H2,1-2H3,(H,21,27)(H,25,26)