methyl 5-(phenylmethoxycarbonylamino)-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]pentanoate

Systemtic Name: methyl 5-(phenylmethoxycarbonylamino)-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]pentanoate Openeye Name: methyl 5-(benzyloxycarbonylamino)-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]pentanoate CAS Name: 2-[[oxo-(2-pyridin-4-yl-3H-benzimidazol-5-yl)methyl]amino]-5-(phenylmethoxycarbonylamino)pentanoic acid methyl ester IUPAC Name: methyl 5-(phenylmethoxycarbonylamino)-2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]pentanoate Traditional Name: 5-(benzyloxycarbonylamino)-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]valeric acid methyl ester Formula: C27H27N5O5 MolecularWeight: 501.53378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCNC(=O)OCC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

Isomeric SMILES

COC(=O)C(CCCNC(=O)OCC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

InChI

InChI=1S/C27H27N5O5/c1-36-26(34)22(8-5-13-29-27(35)37-17-18-6-3-2-4-7-18)32-25(33)20-9-10-21-23(16-20)31-24(30-21)19-11-14-28-15-12-19/h2-4,6-7,9-12,14-16,22H,5,8,13,17H2,1H3,(H,29,35)(H,30,31)(H,32,33)