[4-[(2S)-3-[[2-[[2-[[(2S)-1-[(2-methoxy-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]phenyl] 2,6-bis(chloranyl)benzoate

Systemtic Name: [4-[(2S)-3-[[2-[[2-[[(2S)-1-[(2-methoxy-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]phenyl] 2,6-bis(chloranyl)benzoate Openeye Name: [4-[(2S)-3-[[2-[[2-[[(1S)-1-benzyl-2-[(2-methoxy-2-oxo-ethyl)amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-(tert-butoxycarbonylamino)-3-oxo-propyl]phenyl] 2,6-dichlorobenzoate CAS Name: 2,6-dichlorobenzoic acid [4-[(2S)-3-[[2-[[2-[[(2S)-1-[(2-methoxy-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]phenyl] ester IUPAC Name: [4-[(2S)-3-[[2-[[2-[[(2S)-1-[(2-methoxy-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl] 2,6-dichlorobenzoate Traditional Name: 2,6-dichlorobenzoic acid [4-[(2S)-3-[[2-[[2-[[(1S)-1-benzyl-2-keto-2-[(2-keto-2-methoxy-ethyl)amino]ethyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]amino]-2-(tert-butoxycarbonylamino)-3-keto-propyl]phenyl] ester Formula: C37H41Cl2N5O10 MolecularWeight: 786.65494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OC(=O)C2=C(C=CC=C2Cl)Cl)C(=O)NCC(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)NCC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OC(=O)C2=C(C=CC=C2Cl)Cl)C(=O)NCC(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)OC

InChI

InChI=1S/C37H41Cl2N5O10/c1-37(2,3)54-36(51)44-28(18-23-13-15-24(16-14-23)53-35(50)32-25(38)11-8-12-26(32)39)34(49)41-19-29(45)40-20-30(46)43-27(17-22-9-6-5-7-10-22)33(48)42-21-31(47)52-4/h5-16,27-28H,17-21H2,1-4H3,(H,40,45)(H,41,49)(H,42,48)(H,43,46)(H,44,51)/t27-,28-/m0/s1