N-[(2S,3R)-1-[(2-hydroxyethylamino)-(phenylmethyl)amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-methyl-3-oxidanyl-benzamide

Systemtic Name: N-[(2S,3R)-1-[(2-hydroxyethylamino)-(phenylmethyl)amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-methyl-3-oxidanyl-benzamide Openeye Name: N-[(1S,2R)-1-[benzyl-(2-hydroxyethylamino)carbamoyl]-2-hydroxy-propyl]-3-hydroxy-2-methyl-benzamide CAS Name: 3-hydroxy-N-[(2S,3R)-3-hydroxy-1-[(2-hydroxyethylamino)-(phenylmethyl)amino]-1-oxobutan-2-yl]-2-methylbenzamide IUPAC Name: N-[(2S,3R)-1-[benzyl-(2-hydroxyethylamino)amino]-3-hydroxy-1-oxobutan-2-yl]-3-hydroxy-2-methylbenzamide Traditional Name: N-[(1S,2R)-1-[benzyl-(2-hydroxyethylamino)carbamoyl]-2-hydroxy-propyl]-3-hydroxy-2-methyl-benzamide Formula: C21H27N3O5 MolecularWeight: 401.45618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC(C(C)O)C(=O)N(CC2=CC=CC=C2)NCCO

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(CC2=CC=CC=C2)NCCO

InChI

InChI=1S/C21H27N3O5/c1-14-17(9-6-10-18(14)27)20(28)23-19(15(2)26)21(29)24(22-11-12-25)13-16-7-4-3-5-8-16/h3-10,15,19,22,25-27H,11-13H2,1-2H3,(H,23,28)/t15-,19+/m1/s1