6-methyl-4-[2-[[6-methyl-4-[[3-methyl-2-[[4-methyl-2-(2-methylpropanoylamino)pentanoyl]amino]butanoyl]amino]-3-oxidanyl-heptanoyl]amino]propanoylamino]-3-oxidanyl-heptanoic acid

Systemtic Name: 6-methyl-4-[2-[[6-methyl-4-[[3-methyl-2-[[4-methyl-2-(2-methylpropanoylamino)pentanoyl]amino]butanoyl]amino]-3-oxidanyl-heptanoyl]amino]propanoylamino]-3-oxidanyl-heptanoic acid Openeye Name: 3-hydroxy-4-[2-[[3-hydroxy-6-methyl-4-[[3-methyl-2-[[4-methyl-2-(2-methylpropanoylamino)pentanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoylamino]-6-methyl-heptanoic acid CAS Name: 3-hydroxy-4-[[2-[[3-hydroxy-6-methyl-4-[[3-methyl-2-[[4-methyl-2-[(2-methyl-1-oxopropyl)amino]-1-oxopentyl]amino]-1-oxobutyl]amino]-1-oxoheptyl]amino]-1-oxopropyl]amino]-6-methylheptanoic acid IUPAC Name: 3-hydroxy-4-[2-[[3-hydroxy-6-methyl-4-[[3-methyl-2-[[4-methyl-2-(2-methylpropanoylamino)pentanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoylamino]-6-methylheptanoic acid Traditional Name: 3-hydroxy-4-[2-[[3-hydroxy-4-[[2-[[2-(isobutyrylamino)-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-6-methyl-heptanoyl]amino]propanoylamino]-6-methyl-enanthic acid Formula: C34H63N5O9 MolecularWeight: 685.89212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(C)C)O

Isomeric SMILES

CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(C)C)O

InChI

InChI=1S/C34H63N5O9/c1-17(2)12-23(37-34(48)30(20(7)8)39-33(47)25(14-19(5)6)38-31(45)21(9)10)26(40)15-28(42)35-22(11)32(46)36-24(13-18(3)4)27(41)16-29(43)44/h17-27,30,40-41H,12-16H2,1-11H3,(H,35,42)(H,36,46)(H,37,48)(H,38,45)(H,39,47)(H,43,44)