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

Systemtic Name: methyl 2-[[2-azanyl-3-[(2-azanylpropanoylamino)methyl]-4-oxidanyl-butanoyl]-(6-phenylhexanoyl)amino]-3-methyl-butanoate Openeye Name: methyl 2-[[2-amino-3-[(2-aminopropanoylamino)methyl]-4-hydroxy-butanoyl]-(6-phenylhexanoyl)amino]-3-methyl-butanoate CAS Name: 2-[[2-amino-3-[[(2-amino-1-oxopropyl)amino]methyl]-4-hydroxy-1-oxobutyl]-(1-oxo-6-phenylhexyl)amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[2-amino-3-[(2-aminopropanoylamino)methyl]-4-hydroxybutanoyl]-(6-phenylhexanoyl)amino]-3-methylbutanoate Traditional Name: 2-[[3-[(alanylamino)methyl]-2-amino-4-hydroxy-butanoyl]-(6-phenylhexanoyl)amino]-3-methyl-butyric acid methyl ester Formula: C26H42N4O6 MolecularWeight: 506.63488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42N4O6/c1-17(2)23(26(35)36-4)30(21(32)14-10-6-9-13-19-11-7-5-8-12-19)25(34)22(28)20(16-31)15-29-24(33)18(3)27/h5,7-8,11-12,17-18,20,22-23,31H,6,9-10,13-16,27-28H2,1-4H3,(H,29,33)