2-[[2-[[2-[[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propionic acid Formula: C37H50N8O9 MolecularWeight: 750.8411

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CN=CN2)C(=O)NC(C(C)C)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(C)C(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CN=CN2)C(=O)NC(C(C)C)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(C)C(=O)O)N

InChI

InChI=1S/C37H50N8O9/c1-19(2)30(38)35(51)43-28(15-23-8-12-26(47)13-9-23)33(49)42-29(16-24-17-39-18-40-24)34(50)45-31(20(3)4)36(52)44-27(32(48)41-21(5)37(53)54)14-22-6-10-25(46)11-7-22/h6-13,17-21,27-31,46-47H,14-16,38H2,1-5H3,(H,39,40)(H,41,48)(H,42,49)(H,43,51)(H,44,52)(H,45,50)(H,53,54)