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

Systemtic Name: (phenylmethyl) 4-[(2S)-2-(naphthalen-2-ylcarbonylamino)-3-oxidanyl-propanoyl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[(2S)-3-hydroxy-2-(naphthalene-2-carbonylamino)propanoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(2S)-3-hydroxy-2-[[2-naphthalenyl(oxo)methyl]amino]-1-oxopropyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2S)-3-hydroxy-2-(naphthalene-2-carbonylamino)propanoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(2S)-3-hydroxy-2-(2-naphthoylamino)propanoyl]-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C27H29N3O5 MolecularWeight: 475.53626

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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=C4C=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)[C@H](CO)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H29N3O5/c31-18-24(28-25(32)23-12-11-21-9-4-5-10-22(21)17-23)26(33)29-13-6-14-30(16-15-29)27(34)35-19-20-7-2-1-3-8-20/h1-5,7-12,17,24,31H,6,13-16,18-19H2,(H,28,32)/t24-/m0/s1