tert-butyl N-[3-(2-azanylethanoylamino)-6-oxidanyl-2-phenyl-4-(phenylsulfanylmethyl)phenyl]-N-(2-hydroxyethyl)carbamate

Systemtic Name: tert-butyl N-[3-(2-azanylethanoylamino)-6-oxidanyl-2-phenyl-4-(phenylsulfanylmethyl)phenyl]-N-(2-hydroxyethyl)carbamate Openeye Name: tert-butyl N-[3-[(2-aminoacetyl)amino]-6-hydroxy-2-phenyl-4-(phenylsulfanylmethyl)phenyl]-N-(2-hydroxyethyl)carbamate CAS Name: N-[3-[(2-amino-1-oxoethyl)amino]-6-hydroxy-2-phenyl-4-[(phenylthio)methyl]phenyl]-N-(2-hydroxyethyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(2-aminoacetyl)amino]-6-hydroxy-2-phenyl-4-(phenylsulfanylmethyl)phenyl]-N-(2-hydroxyethyl)carbamate Traditional Name: N-[3-(glycylamino)-6-hydroxy-2-phenyl-4-[(phenylthio)methyl]phenyl]-N-(2-hydroxyethyl)carbamic acid tert-butyl ester Formula: C28H33N3O5S MolecularWeight: 523.64372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCO)C1=C(C=C(C(=C1C2=CC=CC=C2)NC(=O)CN)CSC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N(CCO)C1=C(C=C(C(=C1C2=CC=CC=C2)NC(=O)CN)CSC3=CC=CC=C3)O

InChI

InChI=1S/C28H33N3O5S/c1-28(2,3)36-27(35)31(14-15-32)26-22(33)16-20(18-37-21-12-8-5-9-13-21)25(30-23(34)17-29)24(26)19-10-6-4-7-11-19/h4-13,16,32-33H,14-15,17-18,29H2,1-3H3,(H,30,34)