(phenylmethyl) 4-[(2S)-2-(1H-indol-2-ylcarbonylamino)-3-oxidanyl-propanoyl]-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(2S)-2-(1H-indol-2-ylcarbonylamino)-3-oxidanyl-propanoyl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[(2S)-3-hydroxy-2-(1H-indole-2-carbonylamino)propanoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(2S)-3-hydroxy-2-[[1H-indol-2-yl(oxo)methyl]amino]-1-oxopropyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2S)-3-hydroxy-2-(1H-indole-2-carbonylamino)propanoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(2S)-3-hydroxy-2-(1H-indole-2-carbonylamino)propanoyl]-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)C(CO)NC(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)[C@H](CO)NC(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C25H28N4O5/c30-16-22(27-23(31)21-15-19-9-4-5-10-20(19)26-21)24(32)28-11-6-12-29(14-13-28)25(33)34-17-18-7-2-1-3-8-18/h1-5,7-10,15,22,26,30H,6,11-14,16-17H2,(H,27,31)/t22-/m0/s1