2-[2-[[2-[2-[[2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-[[2-[2-[[2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-methyl-valeric acid Formula: C39H51N9O11 MolecularWeight: 821.87594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CNC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CN=CN3)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)CNC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CN=CN3)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C39H51N9O11/c1-22(2)14-31(39(58)59)46-33(51)20-42-36(55)28(16-24-8-10-26(49)11-9-24)45-32(50)19-43-37(56)29(15-23-6-4-3-5-7-23)48-38(57)30(17-25-18-41-21-44-25)47-35(54)27(40)12-13-34(52)53/h3-11,18,21-22,27-31,49H,12-17,19-20,40H2,1-2H3,(H,41,44)(H,42,55)(H,43,56)(H,45,50)(H,46,51)(H,47,54)(H,48,57)(H,52,53)(H,58,59)