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

Systemtic Name: 2-[[2-[[1-[2-[2-[[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]ethanoylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[2-[[1-[2-[[2-[[2-[[2-[(2-amino-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: 2-[[2-[[[1-[2-[[2-[[2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[2-[[1-[2-[[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[2-[[1-[2-[[2-[[2-[[2-[(2-amino-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: C42H68N8O10 MolecularWeight: 845.03692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)N

InChI

InChI=1S/C42H68N8O10/c1-22(2)17-29(43)36(53)46-31(19-24(5)6)38(55)49-35(25(7)8)40(57)44-21-34(52)45-26(9)41(58)50-16-10-11-33(50)39(56)47-30(18-23(3)4)37(54)48-32(42(59)60)20-27-12-14-28(51)15-13-27/h12-15,22-26,29-33,35,51H,10-11,16-21,43H2,1-9H3,(H,44,57)(H,45,52)(H,46,53)(H,47,56)(H,48,54)(H,49,55)(H,59,60)