2-azanyl-6-methyl-4-[[2-[2-(2-methylprop-2-enoylamino)ethanoylamino]-3-phenyl-propanoyl]amino]-3-oxidanylidene-heptanoic acid

Systemtic Name: 2-azanyl-6-methyl-4-[[2-[2-(2-methylprop-2-enoylamino)ethanoylamino]-3-phenyl-propanoyl]amino]-3-oxidanylidene-heptanoic acid Openeye Name: 2-amino-6-methyl-4-[[2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]-3-phenyl-propanoyl]amino]-3-oxo-heptanoic acid CAS Name: 2-amino-6-methyl-4-[[2-[[2-[(2-methyl-1-oxoprop-2-enyl)amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-oxoheptanoic acid IUPAC Name: 2-amino-6-methyl-4-[[2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxoheptanoic acid Traditional Name: 2-amino-3-keto-4-[[2-[(2-methacrylamidoacetyl)amino]-3-phenyl-propanoyl]amino]-6-methyl-enanthic acid Formula: C23H32N4O6 MolecularWeight: 460.52338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(C(=O)O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(=C)C

Isomeric SMILES

CC(C)CC(C(=O)C(C(=O)O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(=C)C

InChI

InChI=1S/C23H32N4O6/c1-13(2)10-16(20(29)19(24)23(32)33)27-22(31)17(11-15-8-6-5-7-9-15)26-18(28)12-25-21(30)14(3)4/h5-9,13,16-17,19H,3,10-12,24H2,1-2,4H3,(H,25,30)(H,26,28)(H,27,31)(H,32,33)