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

Systemtic Name: methyl 2-[[3-(aminomethyl)-2-azanyl-4-oxidanyl-butanoyl]-(6-phenylhexanoyl)amino]-3-methyl-butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H37N3O5 MolecularWeight: 435.55698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N(C(=O)CCCCCC1=CC=CC=C1)C(=O)C(C(CN)CO)N

Isomeric SMILES

CC(C)C(C(=O)OC)N(C(=O)CCCCCC1=CC=CC=C1)C(=O)C(C(CN)CO)N

InChI

InChI=1S/C23H37N3O5/c1-16(2)21(23(30)31-3)26(22(29)20(25)18(14-24)15-27)19(28)13-9-5-8-12-17-10-6-4-7-11-17/h4,6-7,10-11,16,18,20-21,27H,5,8-9,12-15,24-25H2,1-3H3