3-[[5-[[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-2,3,4,6-tetrakis(oxidanyl)hexanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[5-[[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-2,3,4,6-tetrakis(oxidanyl)hexanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 3-[[5-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-2,3,4,6-tetrahydroxy-hexanoyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[5-[[2-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-2,3,4,6-tetrahydroxy-1-oxohexyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[5-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[5-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-2,3,4,6-tetrahydroxy-hexanoyl]amino]-3-phenyl-propionic acid Formula: C32H53N5O10 MolecularWeight: 667.79072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CO)C(C(C(C(=O)NC(CC(=O)O)C1=CC=CC=C1)O)O)O)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CO)C(C(C(C(=O)NC(CC(=O)O)C1=CC=CC=C1)O)O)O)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)N

InChI

InChI=1S/C32H53N5O10/c1-16(2)12-21(35-29(44)22(13-17(3)4)36-31(46)25(33)18(5)6)30(45)37-23(15-38)26(41)27(42)28(43)32(47)34-20(14-24(39)40)19-10-8-7-9-11-19/h7-11,16-18,20-23,25-28,38,41-43H,12-15,33H2,1-6H3,(H,34,47)(H,35,44)(H,36,46)(H,37,45)(H,39,40)