2-[[2-[[2-[[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]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]-4-methylsulfanyl-butanoyl]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]-4-methylsulfanyl-butanoyl]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]-4-(methylthio)-1-oxobutyl]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]-4-methylsulfanylbutanoyl]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]-4-(methylthio)butanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propionic acid Formula: C36H52N6O9S MolecularWeight: 744.89788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCSC)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=C(C=C2)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(CCSC)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(C)C(=O)O)N

InChI

InChI=1S/C36H52N6O9S/c1-19(2)29(37)34(48)40-28(18-23-9-13-25(44)14-10-23)33(47)39-26(15-16-52-6)31(45)42-30(20(3)4)35(49)41-27(32(46)38-21(5)36(50)51)17-22-7-11-24(43)12-8-22/h7-14,19-21,26-30,43-44H,15-18,37H2,1-6H3,(H,38,46)(H,39,47)(H,40,48)(H,41,49)(H,42,45)(H,50,51)