(phenylmethyl) N-[4-azanyl-6-methyl-3-oxidanyl-2-oxidanylidene-1-phenylmethoxy-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-phenylmethoxy-3-(1,3-thiazol-2-yl)heptyl]-N-(2-azanyl-3-phenyl-propanoyl)carbamate Openeye Name: benzyl N-(4-amino-1-benzyloxy-3-hydroxy-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-phenylmethoxy-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-phenylmethoxy-3-(1,3-thiazol-2-yl)heptyl]-N-(2-amino-3-phenylpropanoyl)carbamate Traditional Name: N-(4-amino-1-benzoxy-3-hydroxy-2-keto-6-methyl-3-thiazol-2-yl-heptyl)-N-phenylalanyl-carbamic acid benzyl ester Formula: C35H40N4O6S MolecularWeight: 644.7803

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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)OCC4=CC=CC=C4)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)OCC4=CC=CC=C4)O)N

InChI

InChI=1S/C35H40N4O6S/c1-24(2)20-29(37)35(43,33-38-18-19-46-33)30(40)32(44-22-26-14-8-4-9-15-26)39(34(42)45-23-27-16-10-5-11-17-27)31(41)28(36)21-25-12-6-3-7-13-25/h3-19,24,28-29,32,43H,20-23,36-37H2,1-2H3