(phenylmethyl) 2-[[3-(aminomethyl)-2-azanyl-4-oxidanyl-butanoyl]-(6-phenylhexanoyl)amino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) 2-[[3-(aminomethyl)-2-azanyl-4-oxidanyl-butanoyl]-(6-phenylhexanoyl)amino]-3-methyl-butanoate Openeye Name: benzyl 2-[[2-amino-3-(aminomethyl)-4-hydroxy-butanoyl]-(6-phenylhexanoyl)amino]-3-methyl-butanoate CAS Name: 2-[[2-amino-3-(aminomethyl)-4-hydroxy-1-oxobutyl]-(1-oxo-6-phenylhexyl)amino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-amino-3-(aminomethyl)-4-hydroxybutanoyl]-(6-phenylhexanoyl)amino]-3-methylbutanoate Traditional Name: 2-[[2-amino-3-(aminomethyl)-4-hydroxy-butanoyl]-(6-phenylhexanoyl)amino]-3-methyl-butyric acid benzyl ester Formula: C29H41N3O5 MolecularWeight: 511.65294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)N(C(=O)CCCCCC2=CC=CC=C2)C(=O)C(C(CN)CO)N

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1)N(C(=O)CCCCCC2=CC=CC=C2)C(=O)C(C(CN)CO)N

InChI

InChI=1S/C29H41N3O5/c1-21(2)27(29(36)37-20-23-15-9-4-10-16-23)32(28(35)26(31)24(18-30)19-33)25(34)17-11-5-8-14-22-12-6-3-7-13-22/h3-4,6-7,9-10,12-13,15-16,21,24,26-27,33H,5,8,11,14,17-20,30-31H2,1-2H3