(phenylmethyl) N-[(2S)-5-azanyl-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2S)-5-azanyl-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-5-azanyl-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2S)-5-azanyl-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-4-amino-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2S)-5-amino-2-(benzyloxycarbonylamino)-5-oxo-pentanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]carbamoyl]-4-oxo-butyl]carbamate CAS Name: N-[(2S)-5-amino-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2S)-5-amino-1,5-dioxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-2-phenylethyl]-2-oxiranyl]-2-phenylethyl]amino]-1,5-dioxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-5-amino-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-phenylethyl]oxiran-2-yl]-2-phenylethyl]amino]-1,5-dioxopentan-2-yl]carbamate Traditional Name: N-[(1S)-4-amino-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2S)-5-amino-2-(benzyloxycarbonylamino)-5-keto-pentanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]carbamoyl]-4-keto-butyl]carbamic acid benzyl ester Formula: C44H50N6O9 MolecularWeight: 806.9026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2C(O2)C(CC3=CC=CC=C3)NC(=O)C(CCC(=O)N)NC(=O)OCC4=CC=CC=C4)NC(=O)C(CCC(=O)N)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H]([C@H]2[C@H](O2)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCC(=O)N)NC(=O)OCC4=CC=CC=C4)NC(=O)[C@H](CCC(=O)N)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C44H50N6O9/c45-37(51)23-21-33(49-43(55)57-27-31-17-9-3-10-18-31)41(53)47-35(25-29-13-5-1-6-14-29)39-40(59-39)36(26-30-15-7-2-8-16-30)48-42(54)34(22-24-38(46)52)50-44(56)58-28-32-19-11-4-12-20-32/h1-20,33-36,39-40H,21-28H2,(H2,45,51)(H2,46,52)(H,47,53)(H,48,54)(H,49,55)(H,50,56)/t33-,34-,35-,36-,39-,40+/m0/s1