tert-butyl N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[3-methylsulfanyl-1-(2-naphthylcarbamoyl)propyl]carbamate CAS Name: N-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-N-[4-(methylthio)-1-(2-naphthalenylamino)-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]carbamate Traditional Name: N-[3-(methylthio)-1-(2-naphthylcarbamoyl)propyl]-N-tyrosyl-carbamic acid tert-butyl ester Formula: C29H35N3O5S MolecularWeight: 537.6703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(CCSC)C(=O)NC1=CC2=CC=CC=C2C=C1)C(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

CC(C)(C)OC(=O)N(C(CCSC)C(=O)NC1=CC2=CC=CC=C2C=C1)C(=O)C(CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C29H35N3O5S/c1-29(2,3)37-28(36)32(27(35)24(30)17-19-9-13-23(33)14-10-19)25(15-16-38-4)26(34)31-22-12-11-20-7-5-6-8-21(20)18-22/h5-14,18,24-25,33H,15-17,30H2,1-4H3,(H,31,34)