2-[[2-[[2-[2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]ethanoylamino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[[2-[2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]ethanoylamino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[(2,6-diamino-1-oxohexyl)amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butyric acid Formula: C33H51N9O7 MolecularWeight: 685.81414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)O)NC(=O)CNC(=O)C(CC2=CN=CN2)NC(=O)C(CCCCN)N

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)O)NC(=O)CNC(=O)C(CC2=CN=CN2)NC(=O)C(CCCCN)N

InChI

InChI=1S/C33H51N9O7/c1-19(2)27(32(47)40-24(14-21-10-6-5-7-11-21)31(46)42-28(20(3)4)33(48)49)41-26(43)17-37-30(45)25(15-22-16-36-18-38-22)39-29(44)23(35)12-8-9-13-34/h5-7,10-11,16,18-20,23-25,27-28H,8-9,12-15,17,34-35H2,1-4H3,(H,36,38)(H,37,45)(H,39,44)(H,40,47)(H,41,43)(H,42,46)(H,48,49)