(phenylmethyl) 4-[3-[[(2R)-1-azanyl-1-oxidanylidene-4-phenyl-butan-2-yl]carbamoylamino]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[3-[[(2R)-1-azanyl-1-oxidanylidene-4-phenyl-butan-2-yl]carbamoylamino]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: benzyl 4-[3-[[(1R)-1-carbamoyl-3-phenyl-propyl]carbamoylamino]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-[[[[(2R)-1-amino-1-oxo-4-phenylbutan-2-yl]amino]-oxomethyl]amino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-[[(2R)-1-amino-1-oxo-4-phenylbutan-2-yl]carbamoylamino]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[(1R)-1-carbamoyl-3-phenyl-propyl]carbamoylamino]benzoyl]piperazine-1-carboxylic acid benzyl ester Formula: C30H33N5O5 MolecularWeight: 543.61352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=CC=C2)NC(=O)NC(CCC3=CC=CC=C3)C(=O)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=CC=C2)NC(=O)N[C@H](CCC3=CC=CC=C3)C(=O)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H33N5O5/c31-27(36)26(15-14-22-8-3-1-4-9-22)33-29(38)32-25-13-7-12-24(20-25)28(37)34-16-18-35(19-17-34)30(39)40-21-23-10-5-2-6-11-23/h1-13,20,26H,14-19,21H2,(H2,31,36)(H2,32,33,38)/t26-/m1/s1