3-[(2-azanyl-3-sulfanyl-propyl)amino]-2,3-dimethyl-4-oxidanyl-2-[pentoxy(3-phenylpropanoyl)amino]butanoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCON(C(=O)CCC1=CC=CC=C1)C(C)(C(=O)O)C(C)(CO)NCC(CS)N

Isomeric SMILES

CCCCCON(C(=O)CCC1=CC=CC=C1)C(C)(C(=O)O)C(C)(CO)NCC(CS)N

InChI

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