(phenylmethyl) 4-[(2S)-3-oxidanyl-2-[(2-oxidanyl-5-pyrrol-1-yl-phenyl)carbonylamino]propanoyl]-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(2S)-3-oxidanyl-2-[(2-oxidanyl-5-pyrrol-1-yl-phenyl)carbonylamino]propanoyl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[(2S)-3-hydroxy-2-[(2-hydroxy-5-pyrrol-1-yl-benzoyl)amino]propanoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(2S)-3-hydroxy-2-[[[2-hydroxy-5-(1-pyrrolyl)phenyl]-oxomethyl]amino]-1-oxopropyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2S)-3-hydroxy-2-[(2-hydroxy-5-pyrrol-1-ylbenzoyl)amino]propanoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(2S)-3-hydroxy-2-[(2-hydroxy-5-pyrrol-1-yl-benzoyl)amino]propanoyl]-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C27H30N4O6 MolecularWeight: 506.5503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)C(CO)NC(=O)C3=C(C=CC(=C3)N4C=CC=C4)O

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)[C@H](CO)NC(=O)C3=C(C=CC(=C3)N4C=CC=C4)O

InChI

InChI=1S/C27H30N4O6/c32-18-23(28-25(34)22-17-21(9-10-24(22)33)29-11-4-5-12-29)26(35)30-13-6-14-31(16-15-30)27(36)37-19-20-7-2-1-3-8-20/h1-5,7-12,17,23,32-33H,6,13-16,18-19H2,(H,28,34)/t23-/m0/s1