tert-butyl 4-[(2S)-2-(phenylmethoxycarbonylamino)-3-(4-propanoyloxyphenyl)propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2S)-2-(phenylmethoxycarbonylamino)-3-(4-propanoyloxyphenyl)propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2S)-2-(benzyloxycarbonylamino)-3-(4-propanoyloxyphenyl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-1-oxo-3-[4-(1-oxopropoxy)phenyl]-2-(phenylmethoxycarbonylamino)propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S)-2-(phenylmethoxycarbonylamino)-3-(4-propanoyloxyphenyl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-(benzyloxycarbonylamino)-3-(4-propionyloxyphenyl)propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C29H37N3O7 MolecularWeight: 539.61998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=C(C=C1)CC(C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(=O)OC1=CC=C(C=C1)C[C@@H](C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H37N3O7/c1-5-25(33)38-23-13-11-21(12-14-23)19-24(30-27(35)37-20-22-9-7-6-8-10-22)26(34)31-15-17-32(18-16-31)28(36)39-29(2,3)4/h6-14,24H,5,15-20H2,1-4H3,(H,30,35)/t24-/m0/s1