2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-4-oxidanyl-2-[pentoxy(3-phenylbutanoyl)amino]butanoic acid

Systemtic Name: 2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-4-oxidanyl-2-[pentoxy(3-phenylbutanoyl)amino]butanoic acid Openeye Name: 2-[(2-amino-3-sulfanyl-propyl)amino]-4-hydroxy-3-methyl-2-[pentoxy(3-phenylbutanoyl)amino]butanoic acid CAS Name: 2-[(2-amino-3-mercaptopropyl)amino]-4-hydroxy-3-methyl-2-[(1-oxo-3-phenylbutyl)-pentoxyamino]butanoic acid IUPAC Name: 2-[(2-amino-3-sulfanylpropyl)amino]-4-hydroxy-3-methyl-2-[pentoxy(3-phenylbutanoyl)amino]butanoic acid Traditional Name: 2-[(2-amino-3-mercapto-propyl)amino]-2-[amoxy(3-phenylbutanoyl)amino]-4-hydroxy-3-methyl-butyric acid Formula: C23H39N3O5S MolecularWeight: 469.63786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCON(C(=O)CC(C)C1=CC=CC=C1)C(C(C)CO)(C(=O)O)NCC(CS)N

Isomeric SMILES

CCCCCON(C(=O)CC(C)C1=CC=CC=C1)C(C(C)CO)(C(=O)O)NCC(CS)N

InChI

InChI=1S/C23H39N3O5S/c1-4-5-9-12-31-26(21(28)13-17(2)19-10-7-6-8-11-19)23(22(29)30,18(3)15-27)25-14-20(24)16-32/h6-8,10-11,17-18,20,25,27,32H,4-5,9,12-16,24H2,1-3H3,(H,29,30)