tert-butyl N-[1-[[1-[[1-[(E)-N,N'-bis(phenylmethoxycarbonyl)carbamimidoyl]piperidin-4-yl]amino]-3-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[1-[[1-[(E)-N,N'-bis(phenylmethoxycarbonyl)carbamimidoyl]piperidin-4-yl]amino]-3-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl (NE)-N-[benzyloxycarbonylamino-[4-[[2-[[2-(tert-butoxycarbonylamino)-3-(4-ethoxyphenyl)propanoyl]amino]-3-hydroxy-3-phenyl-propanoyl]amino]-1-piperidyl]methylene]carbamate CAS Name: N-[3-(4-ethoxyphenyl)-1-[[1-hydroxy-3-oxo-1-phenyl-3-[[1-[(E)-phenylmethoxycarbonylamino(phenylmethoxycarbonylimino)methyl]-4-piperidinyl]amino]propan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[1-[[1-[(E)-N,N'-bis(phenylmethoxycarbonyl)carbamimidoyl]piperidin-4-yl]amino]-3-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]carbamate Traditional Name: (NE)-N-[benzyloxycarbonylamino-[4-[[2-[[2-(tert-butoxycarbonylamino)-3-p-phenetyl-propanoyl]amino]-3-hydroxy-3-phenyl-propanoyl]amino]piperidino]methylene]carbamic acid benzyl ester Formula: C47H56N6O10 MolecularWeight: 864.98174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)NC(C(C2=CC=CC=C2)O)C(=O)NC3CCN(CC3)C(=NC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)NC(C(C2=CC=CC=C2)O)C(=O)NC3CCN(CC3)/C(=N/C(=O)OCC4=CC=CC=C4)/NC(=O)OCC5=CC=CC=C5)NC(=O)OC(C)(C)C

InChI

InChI=1S/C47H56N6O10/c1-5-60-37-23-21-32(22-24-37)29-38(49-46(59)63-47(2,3)4)41(55)50-39(40(54)35-19-13-8-14-20-35)42(56)48-36-25-27-53(28-26-36)43(51-44(57)61-30-33-15-9-6-10-16-33)52-45(58)62-31-34-17-11-7-12-18-34/h6-24,36,38-40,54H,5,25-31H2,1-4H3,(H,48,56)(H,49,59)(H,50,55)(H,51,52,57,58)