3-[[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 3-[[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 3-[[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxo-pentanoic acid CAS Name: 3-[[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: 3-[[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoic acid Traditional Name: 3-[[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-keto-valeric acid Formula: C27H36N6O8 MolecularWeight: 572.61014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)NC(CC=O)CC(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)NC(CC=O)CC(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C

InChI

InChI=1S/C27H36N6O8/c1-15(2)24(33-26(40)21(30-16(3)35)10-17-4-6-20(36)7-5-17)27(41)32-22(11-19-13-28-14-29-19)25(39)31-18(8-9-34)12-23(37)38/h4-7,9,13-15,18,21-22,24,36H,8,10-12H2,1-3H3,(H,28,29)(H,30,35)(H,31,39)(H,32,41)(H,33,40)(H,37,38)