methyl (2S,3S)-2-[[6-acetamido-3-(2-methoxyethyl)-2-pyridin-2-yl-benzimidazol-4-yl]carbonylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2S,3S)-2-[[6-acetamido-3-(2-methoxyethyl)-2-pyridin-2-yl-benzimidazol-4-yl]carbonylamino]-3-methyl-pentanoate Openeye Name: methyl (2S,3S)-2-[[6-acetamido-3-(2-methoxyethyl)-2-(2-pyridyl)benzimidazole-4-carbonyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[[6-acetamido-3-(2-methoxyethyl)-2-(2-pyridinyl)-4-benzimidazolyl]-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[[6-acetamido-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carbonyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[6-acetamido-3-(2-methoxyethyl)-2-(2-pyridyl)benzimidazole-4-carbonyl]amino]-3-methyl-valeric acid methyl ester Formula: C25H31N5O5 MolecularWeight: 481.54414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)C1=CC(=CC2=C1N(C(=N2)C3=CC=CC=N3)CCOC)NC(=O)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC)NC(=O)C1=CC(=CC2=C1N(C(=N2)C3=CC=CC=N3)CCOC)NC(=O)C

InChI

InChI=1S/C25H31N5O5/c1-6-15(2)21(25(33)35-5)29-24(32)18-13-17(27-16(3)31)14-20-22(18)30(11-12-34-4)23(28-20)19-9-7-8-10-26-19/h7-10,13-15,21H,6,11-12H2,1-5H3,(H,27,31)(H,29,32)/t15-,21-/m0/s1