ethyl 3-[[(2S)-1-oxidanylidene-1-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamoylamino]benzoate

Systemtic Name: ethyl 3-[[(2S)-1-oxidanylidene-1-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamoylamino]benzoate Openeye Name: ethyl 3-[[(1S)-1-benzyloxycarbonyl-4-(benzyloxycarbonylamino)butyl]carbamoylamino]benzoate CAS Name: 3-[[oxo-[[(2S)-1-oxo-1-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentan-2-yl]amino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-1-oxo-1-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamoylamino]benzoate Traditional Name: 3-[[(1S)-4-(benzyloxycarbonylamino)-1-carbobenzoxy-butyl]carbamoylamino]benzoic acid ethyl ester Formula: C30H33N3O7 MolecularWeight: 547.59892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)NC(CCCNC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N[C@@H](CCCNC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H33N3O7/c1-2-38-27(34)24-15-9-16-25(19-24)32-29(36)33-26(28(35)39-20-22-11-5-3-6-12-22)17-10-18-31-30(37)40-21-23-13-7-4-8-14-23/h3-9,11-16,19,26H,2,10,17-18,20-21H2,1H3,(H,31,37)(H2,32,33,36)/t26-/m0/s1