3-[[2-[2-[(2-acetamido-4-methoxy-4-oxidanylidene-butanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]-4-oxidanylidene-7-phenyl-heptanoic acid

Systemtic Name: 3-[[2-[2-[(2-acetamido-4-methoxy-4-oxidanylidene-butanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]-4-oxidanylidene-7-phenyl-heptanoic acid Openeye Name: 3-[[2-[2-[(2-acetamido-4-methoxy-4-oxo-butanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]-4-oxo-7-phenyl-heptanoic acid CAS Name: 3-[[2-[[2-[(2-acetamido-4-methoxy-1,4-dioxobutyl)amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-4-oxo-7-phenylheptanoic acid IUPAC Name: 3-[[2-[2-[(2-acetamido-4-methoxy-4-oxobutanoyl)amino]propanoylamino]-3-methylbutanoyl]amino]-4-oxo-7-phenylheptanoic acid Traditional Name: 3-[[2-[2-[(2-acetamido-4-keto-4-methoxy-butanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]-4-keto-7-phenyl-enanthic acid Formula: C28H40N4O9 MolecularWeight: 576.6386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CCCC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CC(=O)OC)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CCCC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CC(=O)OC)NC(=O)C

InChI

InChI=1S/C28H40N4O9/c1-16(2)25(32-26(38)17(3)29-27(39)21(30-18(4)33)15-24(37)41-5)28(40)31-20(14-23(35)36)22(34)13-9-12-19-10-7-6-8-11-19/h6-8,10-11,16-17,20-21,25H,9,12-15H2,1-5H3,(H,29,39)(H,30,33)(H,31,40)(H,32,38)(H,35,36)