tert-butyl N-[6-azanyl-3-[[4-(2-hydroxyethylsulfonylmethyl)phenyl]-oxidanyl-methyl]-6-oxidanylidene-1-phenyl-hexan-2-yl]carbamate

Systemtic Name: tert-butyl N-[6-azanyl-3-[[4-(2-hydroxyethylsulfonylmethyl)phenyl]-oxidanyl-methyl]-6-oxidanylidene-1-phenyl-hexan-2-yl]carbamate Openeye Name: tert-butyl N-[5-amino-1-benzyl-2-[hydroxy-[4-(2-hydroxyethylsulfonylmethyl)phenyl]methyl]-5-oxo-pentyl]carbamate CAS Name: N-[6-amino-3-[hydroxy-[4-(2-hydroxyethylsulfonylmethyl)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-amino-3-[hydroxy-[4-(2-hydroxyethylsulfonylmethyl)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate Traditional Name: N-[5-amino-1-benzyl-2-[hydroxy-[4-(2-hydroxyethylsulfonylmethyl)phenyl]methyl]-5-keto-pentyl]carbamic acid tert-butyl ester Formula: C27H38N2O7S MolecularWeight: 534.66482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CCC(=O)N)C(C2=CC=C(C=C2)CS(=O)(=O)CCO)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CCC(=O)N)C(C2=CC=C(C=C2)CS(=O)(=O)CCO)O

InChI

InChI=1S/C27H38N2O7S/c1-27(2,3)36-26(33)29-23(17-19-7-5-4-6-8-19)22(13-14-24(28)31)25(32)21-11-9-20(10-12-21)18-37(34,35)16-15-30/h4-12,22-23,25,30,32H,13-18H2,1-3H3,(H2,28,31)(H,29,33)