(3S)-5-[(4-chloranylpyrimidin-2-yl)amino]-3-[[(2S)-2-[2-(5-ethanoyl-2-methoxy-phenyl)ethanoylamino]-3-methyl-butanoyl]amino]-4-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-5-[(4-chloranylpyrimidin-2-yl)amino]-3-[[(2S)-2-[2-(5-ethanoyl-2-methoxy-phenyl)ethanoylamino]-3-methyl-butanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: (3S)-3-[[(2S)-2-[[2-(5-acetyl-2-methoxy-phenyl)acetyl]amino]-3-methyl-butanoyl]amino]-5-[(4-chloropyrimidin-2-yl)amino]-4-oxo-pentanoic acid CAS Name: (3S)-3-[[(2S)-2-[[2-(5-acetyl-2-methoxyphenyl)-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-5-[(4-chloro-2-pyrimidinyl)amino]-4-oxopentanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-5-[(4-chloropyrimidin-2-yl)amino]-4-oxopentanoic acid Traditional Name: (3S)-3-[[(2S)-2-[[2-(5-acetyl-2-methoxy-phenyl)acetyl]amino]-3-methyl-butanoyl]amino]-5-[(4-chloropyrimidin-2-yl)amino]-4-keto-valeric acid Formula: C25H30ClN5O7 MolecularWeight: 547.988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CNC1=NC=CC(=N1)Cl)NC(=O)CC2=C(C=CC(=C2)C(=O)C)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)CNC1=NC=CC(=N1)Cl)NC(=O)CC2=C(C=CC(=C2)C(=O)C)OC

InChI

InChI=1S/C25H30ClN5O7/c1-13(2)23(31-21(34)10-16-9-15(14(3)32)5-6-19(16)38-4)24(37)29-17(11-22(35)36)18(33)12-28-25-27-8-7-20(26)30-25/h5-9,13,17,23H,10-12H2,1-4H3,(H,29,37)(H,31,34)(H,35,36)(H,27,28,30)/t17-,23-/m0/s1