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

Systemtic Name: methyl 2-[[2-azanyl-4-(2-azanylpropanoylamino)-3-methyl-butanoyl]-(4-oxidanyl-6-phenyl-hexanoyl)amino]-3-methyl-butanoate Openeye Name: methyl 2-[[2-amino-4-(2-aminopropanoylamino)-3-methyl-butanoyl]-(4-hydroxy-6-phenyl-hexanoyl)amino]-3-methyl-butanoate CAS Name: 2-[[2-amino-4-[(2-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-aminopropanoylamino)-3-methylbutanoyl]-(4-hydroxy-6-phenylhexanoyl)amino]-3-methylbutanoate Traditional Name: 2-[[4-(alanylamino)-2-amino-3-methyl-butanoyl]-(4-hydroxy-6-phenyl-hexanoyl)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)CCC(CCC1=CC=CC=C1)O)C(=O)C(C(C)CNC(=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)N)N

InChI

InChI=1S/C26H42N4O6/c1-16(2)23(26(35)36-5)30(25(34)22(28)17(3)15-29-24(33)18(4)27)21(32)14-13-20(31)12-11-19-9-7-6-8-10-19/h6-10,16-18,20,22-23,31H,11-15,27-28H2,1-5H3,(H,29,33)