(2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-[[3-(2,4-dimethyl-6-oxidanyl-phenyl)-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-[[3-(2,4-dimethyl-6-oxidanyl-phenyl)-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[3-(2-hydroxy-4,6-dimethyl-phenyl)-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[3-(2-hydroxy-4,6-dimethylphenyl)-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[3-(2-hydroxy-4,6-dimethylphenyl)-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[3-(2-hydroxy-4,6-dimethyl-phenyl)-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid Formula: C41H53N5O9 MolecularWeight: 759.88762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)O)C(C)(C)CC(=O)NC(CC2=CC=C(C=C2)O)C(=O)NCC(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC(C)C)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)O)C(C)(C)CC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC(C)C)C(=O)O)C

InChI

InChI=1S/C41H53N5O9/c1-24(2)16-32(40(54)55)46-39(53)31(19-27-10-8-7-9-11-27)45-36(51)23-42-35(50)22-43-38(52)30(20-28-12-14-29(47)15-13-28)44-34(49)21-41(5,6)37-26(4)17-25(3)18-33(37)48/h7-15,17-18,24,30-32,47-48H,16,19-23H2,1-6H3,(H,42,50)(H,43,52)(H,44,49)(H,45,51)(H,46,53)(H,54,55)/t30-,31-,32-/m0/s1