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

Systemtic Name: methyl 2-[[2-azanyl-4-[2-(2-azanylpropanoylamino)propanoylamino]-3-methyl-butanoyl]-(4-oxidanyl-6-phenyl-hexanoyl)amino]-3-methyl-butanoate Openeye Name: methyl 2-[[2-amino-4-[2-(2-aminopropanoylamino)propanoylamino]-3-methyl-butanoyl]-(4-hydroxy-6-phenyl-hexanoyl)amino]-3-methyl-butanoate CAS Name: 2-[[2-amino-4-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]-(4-hydroxy-1-oxo-6-phenylhexyl)amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[2-amino-4-[2-(2-aminopropanoylamino)propanoylamino]-3-methylbutanoyl]-(4-hydroxy-6-phenylhexanoyl)amino]-3-methylbutanoate Traditional Name: 2-[[4-[2-(alanylamino)propanoylamino]-2-amino-3-methyl-butanoyl]-(4-hydroxy-6-phenyl-hexanoyl)amino]-3-methyl-butyric acid methyl ester Formula: C29H47N5O7 MolecularWeight: 577.71278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N(C(=O)CCC(CCC1=CC=CC=C1)O)C(=O)C(C(C)CNC(=O)C(C)NC(=O)C(C)N)N

Isomeric SMILES

CC(C)C(C(=O)OC)N(C(=O)CCC(CCC1=CC=CC=C1)O)C(=O)C(C(C)CNC(=O)C(C)NC(=O)C(C)N)N

InChI

InChI=1S/C29H47N5O7/c1-17(2)25(29(40)41-6)34(23(36)15-14-22(35)13-12-21-10-8-7-9-11-21)28(39)24(31)18(3)16-32-27(38)20(5)33-26(37)19(4)30/h7-11,17-20,22,24-25,35H,12-16,30-31H2,1-6H3,(H,32,38)(H,33,37)