(phenylmethyl) (2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-[4-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-[4-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-5-(benzyloxycarbonylamino)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoyl]amino]-3-methyl-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[[(2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxo-5-(phenylmethoxycarbonylamino)pentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-5-(benzyloxycarbonylamino)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-[4-(2,6-dichlorobenzyl)oxyphenyl]propanoyl]amino]-3-methyl-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C75H90Cl2N8O13 MolecularWeight: 1382.4689

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)OCC3=CC=CC=C3)NC(=O)C(CCCNC(=O)OCC4=CC=CC=C4)NC(=O)C(C(C)C)NC(=O)C(CC5=CC=C(C=C5)OCC6=C(C=CC=C6Cl)Cl)NC(=O)C(CC7=CC=CC=C7)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)OCC3=CC=CC=C3)NC(=O)[C@H](CCCNC(=O)OCC4=CC=CC=C4)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC5=CC=C(C=C5)OCC6=C(C=CC=C6Cl)Cl)NC(=O)[C@@H](CC7=CC=CC=C7)NC(=O)OC(C)(C)C

InChI

InChI=1S/C75H90Cl2N8O13/c1-48(2)41-60(67(87)82-63(44-51-25-14-9-15-26-51)71(91)85-40-22-34-64(85)72(92)96-45-53-27-16-10-17-28-53)80-66(86)59(33-21-39-78-73(93)97-46-54-29-18-11-19-30-54)79-70(90)65(49(3)4)84-69(89)61(43-52-35-37-55(38-36-52)95-47-56-57(76)31-20-32-58(56)77)81-68(88)62(42-50-23-12-8-13-24-50)83-74(94)98-75(5,6)7/h8-20,23-32,35-38,48-49,59-65H,21-22,33-34,39-47H2,1-7H3,(H,78,93)(H,79,90)(H,80,86)(H,81,88)(H,82,87)(H,83,94)(H,84,89)/t59-,60-,61+,62+,63+,64-,65-/m0/s1