2-[[2-[[2-[[1-[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid

Systemtic Name: 2-[[2-[[2-[[1-[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid Openeye Name: 2-[[2-[[2-[[1-[2-[(2-amino-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid CAS Name: 2-[[2-[[2-[[[1-[2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[[2-[[2-[[1-[2-[(2-amino-3-methylbutanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid Traditional Name: 2-[[2-[[2-[[1-[2-[(2-amino-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]prolyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propionic acid Formula: C36H50N6O9 MolecularWeight: 710.817

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=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)N2CCCC2C(=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/C36H50N6O9/c1-19(2)29(37)33(47)40-27(18-23-10-14-25(44)15-11-23)35(49)42-16-6-7-28(42)32(46)41-30(20(3)4)34(48)39-26(31(45)38-21(5)36(50)51)17-22-8-12-24(43)13-9-22/h8-15,19-21,26-30,43-44H,6-7,16-18,37H2,1-5H3,(H,38,45)(H,39,48)(H,40,47)(H,41,46)(H,50,51)