tert-butyl N-[1-[[3-[(2-azanyl-3-phenyl-propanoyl)amino]-5-methyl-2-oxidanylidene-hexanoyl]amino]-2-oxidanyl-4-phenyl-butyl]carbamate

Systemtic Name: tert-butyl N-[1-[[3-[(2-azanyl-3-phenyl-propanoyl)amino]-5-methyl-2-oxidanylidene-hexanoyl]amino]-2-oxidanyl-4-phenyl-butyl]carbamate Openeye Name: tert-butyl N-[1-[[3-[(2-amino-3-phenyl-propanoyl)amino]-5-methyl-2-oxo-hexanoyl]amino]-2-hydroxy-4-phenyl-butyl]carbamate CAS Name: N-[1-[[3-[(2-amino-1-oxo-3-phenylpropyl)amino]-5-methyl-1,2-dioxohexyl]amino]-2-hydroxy-4-phenylbutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[3-[(2-amino-3-phenylpropanoyl)amino]-5-methyl-2-oxohexanoyl]amino]-2-hydroxy-4-phenylbutyl]carbamate Traditional Name: N-[2-hydroxy-1-[[2-keto-5-methyl-3-(phenylalanylamino)hexanoyl]amino]-4-phenyl-butyl]carbamic acid tert-butyl ester Formula: C31H44N4O6 MolecularWeight: 568.70426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(=O)NC(C(CCC1=CC=CC=C1)O)NC(=O)OC(C)(C)C)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)CC(C(=O)C(=O)NC(C(CCC1=CC=CC=C1)O)NC(=O)OC(C)(C)C)NC(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C31H44N4O6/c1-20(2)18-24(33-28(38)23(32)19-22-14-10-7-11-15-22)26(37)29(39)34-27(35-30(40)41-31(3,4)5)25(36)17-16-21-12-8-6-9-13-21/h6-15,20,23-25,27,36H,16-19,32H2,1-5H3,(H,33,38)(H,34,39)(H,35,40)