[(2R)-3,6-bis(oxidanylidene)piperazin-2-yl]methyl (2S)-2-[[(2S)-3-(2-chloranyl-4-methoxy-3-phenylmethoxy-phenyl)-2-[methyl-[(2R)-2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxycarbonyloxyphenyl)propanoyl]amino]propanoyl]-methyl-amino]-3-phenyl-propanoate

Systemtic Name: [(2R)-3,6-bis(oxidanylidene)piperazin-2-yl]methyl (2S)-2-[[(2S)-3-(2-chloranyl-4-methoxy-3-phenylmethoxy-phenyl)-2-[methyl-[(2R)-2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxycarbonyloxyphenyl)propanoyl]amino]propanoyl]-methyl-amino]-3-phenyl-propanoate Openeye Name: [(2R)-3,6-dioxopiperazin-2-yl]methyl (2S)-2-[[(2S)-2-[[(2R)-2-(benzyloxycarbonylamino)-3-(4-benzyloxycarbonyloxyphenyl)propanoyl]-methyl-amino]-3-(3-benzyloxy-2-chloro-4-methoxy-phenyl)propanoyl]-methyl-amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-3-(2-chloro-4-methoxy-3-phenylmethoxyphenyl)-2-[methyl-[(2R)-1-oxo-2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxycarbonyloxyphenyl)propyl]amino]-1-oxopropyl]-methylamino]-3-phenylpropanoic acid [(2R)-3,6-dioxo-2-piperazinyl]methyl ester IUPAC Name: [(2R)-3,6-dioxopiperazin-2-yl]methyl (2S)-2-[[(2S)-3-(2-chloro-4-methoxy-3-phenylmethoxyphenyl)-2-[methyl-[(2R)-2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxycarbonyloxyphenyl)propanoyl]amino]propanoyl]-methylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-3-(3-benzoxy-2-chloro-4-methoxy-phenyl)-2-[[(2R)-2-(benzyloxycarbonylamino)-3-(4-carbobenzoxyoxyphenyl)propanoyl]-methyl-amino]propanoyl]-methyl-amino]-3-phenyl-propionic acid [(2R)-3,6-diketopiperazin-2-yl]methyl ester Formula: C58H58ClN5O13 MolecularWeight: 1068.55982

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=C(C(=C(C=C1)OC)OCC2=CC=CC=C2)Cl)C(=O)N(C)C(CC3=CC=CC=C3)C(=O)OCC4C(=O)NCC(=O)N4)C(=O)C(CC5=CC=C(C=C5)OC(=O)OCC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7

Isomeric SMILES

CN([C@@H](CC1=C(C(=C(C=C1)OC)OCC2=CC=CC=C2)Cl)C(=O)N(C)[C@@H](CC3=CC=CC=C3)C(=O)OC[C@@H]4C(=O)NCC(=O)N4)C(=O)[C@@H](CC5=CC=C(C=C5)OC(=O)OCC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C58H58ClN5O13/c1-63(54(67)45(62-57(70)75-35-41-20-12-6-13-21-41)30-39-24-27-44(28-25-39)77-58(71)76-36-42-22-14-7-15-23-42)47(32-43-26-29-49(72-3)52(51(43)59)73-34-40-18-10-5-11-19-40)55(68)64(2)48(31-38-16-8-4-9-17-38)56(69)74-37-46-53(66)60-33-50(65)61-46/h4-29,45-48H,30-37H2,1-3H3,(H,60,66)(H,61,65)(H,62,70)/t45-,46-,47+,48+/m1/s1