(phenylmethyl) 4-[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-3-oxidanyl-propanoyl]-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-3-oxidanyl-propanoyl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[(2S)-3-hydroxy-2-[(7-methoxybenzofuran-2-carbonyl)amino]propanoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(2S)-3-hydroxy-2-[[(7-methoxy-2-benzofuranyl)-oxomethyl]amino]-1-oxopropyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2S)-3-hydroxy-2-[(7-methoxy-1-benzofuran-2-carbonyl)amino]propanoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(2S)-3-hydroxy-2-[(7-methoxybenzofuran-2-carbonyl)amino]propanoyl]-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C26H29N3O7 MolecularWeight: 495.52436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)NC(CO)C(=O)N3CCCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)N[C@@H](CO)C(=O)N3CCCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O7/c1-34-21-10-5-9-19-15-22(36-23(19)21)24(31)27-20(16-30)25(32)28-11-6-12-29(14-13-28)26(33)35-17-18-7-3-2-4-8-18/h2-5,7-10,15,20,30H,6,11-14,16-17H2,1H3,(H,27,31)/t20-/m0/s1