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

Systemtic Name: 2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-4-oxidanyl-2-[pentoxy(3-phenylpropanoyl)amino]butanoic acid Openeye Name: 2-[(2-amino-3-sulfanyl-propyl)amino]-4-hydroxy-3-methyl-2-[pentoxy(3-phenylpropanoyl)amino]butanoic acid CAS Name: 2-[(2-amino-3-mercaptopropyl)amino]-4-hydroxy-3-methyl-2-[(1-oxo-3-phenylpropyl)-pentoxyamino]butanoic acid IUPAC Name: 2-[(2-amino-3-sulfanylpropyl)amino]-4-hydroxy-3-methyl-2-[pentoxy(3-phenylpropanoyl)amino]butanoic acid Traditional Name: 2-[(2-amino-3-mercapto-propyl)amino]-2-[amoxy(hydrocinnamoyl)amino]-4-hydroxy-3-methyl-butyric acid Formula: C22H37N3O5S MolecularWeight: 455.61128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37N3O5S/c1-3-4-8-13-30-25(20(27)12-11-18-9-6-5-7-10-18)22(21(28)29,17(2)15-26)24-14-19(23)16-31/h5-7,9-10,17,19,24,26,31H,3-4,8,11-16,23H2,1-2H3,(H,28,29)