3-(4-hydroxyphenyl)-2-[[4-methyl-2-[[1-[2-[2-[[3-methyl-2-[[4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]butanoyl]amino]ethanoylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[4-methyl-2-[[1-[2-[2-[[3-methyl-2-[[4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]butanoyl]amino]ethanoylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]propanoic acid Openeye Name: 2-[[2-[[1-[2-[[2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[4-methyl-2-[[[1-[2-[[2-[[3-methyl-2-[[4-methyl-2-[[4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-1-oxopentyl]amino]-1-oxobutyl]amino]-1-oxoethyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopentyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[4-methyl-2-[[1-[2-[[2-[[3-methyl-2-[[4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]butanoyl]amino]acetyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoic acid Traditional Name: 2-[[2-[[1-[2-[[2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]propanoyl]prolyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C47H76N8O12 MolecularWeight: 945.15274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C2CCCN2C(=O)C(C)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C2CCCN2C(=O)C(C)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C47H76N8O12/c1-25(2)20-32(39(58)52-35(45(64)65)23-30-15-17-31(56)18-16-30)51-42(61)36-14-13-19-55(36)44(63)29(9)49-37(57)24-48-43(62)38(28(7)8)54-41(60)33(21-26(3)4)50-40(59)34(22-27(5)6)53-46(66)67-47(10,11)12/h15-18,25-29,32-36,38,56H,13-14,19-24H2,1-12H3,(H,48,62)(H,49,57)(H,50,59)(H,51,61)(H,52,58)(H,53,66)(H,54,60)(H,64,65)