(phenylmethyl) N-[4-azanyl-6-methyl-3-oxidanyl-2-oxidanylidene-1-propan-2-yloxy-3-(1,3-thiazol-2-yl)heptyl]-N-(2-azanyl-3-phenyl-propanoyl)carbamate

Systemtic Name: (phenylmethyl) N-[4-azanyl-6-methyl-3-oxidanyl-2-oxidanylidene-1-propan-2-yloxy-3-(1,3-thiazol-2-yl)heptyl]-N-(2-azanyl-3-phenyl-propanoyl)carbamate Openeye Name: benzyl N-(4-amino-3-hydroxy-1-isopropoxy-6-methyl-2-oxo-3-thiazol-2-yl-heptyl)-N-(2-amino-3-phenyl-propanoyl)carbamate CAS Name: N-[4-amino-3-hydroxy-6-methyl-2-oxo-1-propan-2-yloxy-3-(2-thiazolyl)heptyl]-N-(2-amino-1-oxo-3-phenylpropyl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-amino-3-hydroxy-6-methyl-2-oxo-1-propan-2-yloxy-3-(1,3-thiazol-2-yl)heptyl]-N-(2-amino-3-phenylpropanoyl)carbamate Traditional Name: N-(4-amino-3-hydroxy-1-isopropoxy-2-keto-6-methyl-3-thiazol-2-yl-heptyl)-N-phenylalanyl-carbamic acid benzyl ester Formula: C31H40N4O6S MolecularWeight: 596.7375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C1=NC=CS1)(C(=O)C(N(C(=O)C(CC2=CC=CC=C2)N)C(=O)OCC3=CC=CC=C3)OC(C)C)O)N

Isomeric SMILES

CC(C)CC(C(C1=NC=CS1)(C(=O)C(N(C(=O)C(CC2=CC=CC=C2)N)C(=O)OCC3=CC=CC=C3)OC(C)C)O)N

InChI

InChI=1S/C31H40N4O6S/c1-20(2)17-25(33)31(39,29-34-15-16-42-29)26(36)28(41-21(3)4)35(30(38)40-19-23-13-9-6-10-14-23)27(37)24(32)18-22-11-7-5-8-12-22/h5-16,20-21,24-25,28,39H,17-19,32-33H2,1-4H3