methyl 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]propanoate

Systemtic Name: methyl 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]propanoate Openeye Name: methyl 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)propanoate 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 methyl ester IUPAC Name: methyl 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]propanoate 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 methyl ester Formula: C48H78N8O12 MolecularWeight: 959.17932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)OC)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)OC)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/C48H78N8O12/c1-26(2)21-33(40(59)53-36(46(65)67-13)24-31-16-18-32(57)19-17-31)52-43(62)37-15-14-20-56(37)45(64)30(9)50-38(58)25-49-44(63)39(29(7)8)55-42(61)34(22-27(3)4)51-41(60)35(23-28(5)6)54-47(66)68-48(10,11)12/h16-19,26-30,33-37,39,57H,14-15,20-25H2,1-13H3,(H,49,63)(H,50,58)(H,51,60)(H,52,62)(H,53,59)(H,54,66)(H,55,61)