tert-butyl N-[(1R)-1-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-[[(1R)-2-[[(1R,2S)-1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-3-[[(1S)-1-(3,5-dimethoxyphenyl)-2-(methylamino)-2-oxidanylidene-ethyl]amino]-1-oxidanyl-3-oxidanylidene-propan-2-yl]amino]-1-(4-methoxy-2-phenylmethoxy-phenyl)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: tert-butyl N-[(1R)-1-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-[[(1R)-2-[[(1R,2S)-1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-3-[[(1S)-1-(3,5-dimethoxyphenyl)-2-(methylamino)-2-oxidanylidene-ethyl]amino]-1-oxidanyl-3-oxidanylidene-propan-2-yl]amino]-1-(4-methoxy-2-phenylmethoxy-phenyl)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]carbamate Openeye Name: tert-butyl N-[(1R)-2-[[(1R)-1-(2-benzyloxy-4-methoxy-phenyl)-2-[[(1S)-1-[(R)-(3,5-dichloro-4-hydroxy-phenyl)-hydroxy-methyl]-2-[[(1S)-1-(3,5-dimethoxyphenyl)-2-(methylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-(3,5-dibromo-4-hydroxy-phenyl)-2-oxo-ethyl]carbamate CAS Name: N-[(1R)-1-(3,5-dibromo-4-hydroxyphenyl)-2-[[(1R)-2-[[(1R,2S)-1-(3,5-dichloro-4-hydroxyphenyl)-3-[[(1S)-1-(3,5-dimethoxyphenyl)-2-(methylamino)-2-oxoethyl]amino]-1-hydroxy-3-oxopropan-2-yl]amino]-1-(4-methoxy-2-phenylmethoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1R)-1-(3,5-dibromo-4-hydroxyphenyl)-2-[[(1R)-2-[[(1R,2S)-1-(3,5-dichloro-4-hydroxyphenyl)-3-[[(1S)-1-(3,5-dimethoxyphenyl)-2-(methylamino)-2-oxoethyl]amino]-1-hydroxy-3-oxopropan-2-yl]amino]-1-(4-methoxy-2-phenylmethoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate Traditional Name: N-[(1R)-2-[[(1R)-1-(2-benzoxy-4-methoxy-phenyl)-2-[[(1S)-1-[(R)-(3,5-dichloro-4-hydroxy-phenyl)-hydroxy-methyl]-2-[[(1S)-1-(3,5-dimethoxyphenyl)-2-keto-2-(methylamino)ethyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]amino]-1-(3,5-dibromo-4-hydroxy-phenyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C49H51Br2Cl2N5O13 MolecularWeight: 1148.66894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC(=C(C(=C1)Br)O)Br)C(=O)NC(C2=C(C=C(C=C2)OC)OCC3=CC=CC=C3)C(=O)NC(C(C4=CC(=C(C(=C4)Cl)O)Cl)O)C(=O)NC(C5=CC(=CC(=C5)OC)OC)C(=O)NC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](C1=CC(=C(C(=C1)Br)O)Br)C(=O)N[C@H](C2=C(C=C(C=C2)OC)OCC3=CC=CC=C3)C(=O)N[C@@H]([C@@H](C4=CC(=C(C(=C4)Cl)O)Cl)O)C(=O)N[C@@H](C5=CC(=CC(=C5)OC)OC)C(=O)NC

InChI

InChI=1S/C49H51Br2Cl2N5O13/c1-49(2,3)71-48(66)58-38(26-17-32(50)42(60)33(51)18-26)45(63)56-39(31-14-13-28(67-5)22-36(31)70-23-24-11-9-8-10-12-24)46(64)57-40(41(59)27-19-34(52)43(61)35(53)20-27)47(65)55-37(44(62)54-4)25-15-29(68-6)21-30(16-25)69-7/h8-22,37-41,59-61H,23H2,1-7H3,(H,54,62)(H,55,65)(H,56,63)(H,57,64)(H,58,66)/t37-,38+,39+,40-,41+/m0/s1