(phenylmethyl) (2S)-4-methyl-2-[[(2S,3R)-2-[[3-[[(1S)-2-methyl-1-[[(2S)-2-[2-[[(2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]pentanoyl]amino]pentanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]propyl]amino]-3-oxidanylidene-2-(phenylmethyl)propanoyl]amino]-3-phenylmethoxy-butanoyl]amino]pentanoate

Systemtic Name: (phenylmethyl) (2S)-4-methyl-2-[[(2S,3R)-2-[[3-[[(1S)-2-methyl-1-[[(2S)-2-[2-[[(2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]pentanoyl]amino]pentanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]propyl]amino]-3-oxidanylidene-2-(phenylmethyl)propanoyl]amino]-3-phenylmethoxy-butanoyl]amino]pentanoate Openeye Name: benzyl (2S)-2-[[(2S,3R)-2-[[2-benzyl-3-[[(1S)-1-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-2-methyl-propyl]amino]-3-oxo-propanoyl]amino]-3-benzyloxy-butanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[(2S,3R)-2-[[3-[[(1S)-2-methyl-1-[[(2S)-2-[[2-[[(2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]-1-oxopentyl]amino]-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]propyl]amino]-1,3-dioxo-2-(phenylmethyl)propyl]amino]-1-oxo-3-phenylmethoxybutyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S,3R)-2-[[2-benzyl-3-[[(1S)-2-methyl-1-[[(2S)-2-[[2-[[(2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoyl]amino]pentanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]propyl]amino]-3-oxopropanoyl]amino]-3-phenylmethoxybutanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S,3R)-3-benzoxy-2-[[2-benzyl-3-[[(1S)-1-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-2-methyl-propyl]amino]-3-keto-propanoyl]amino]butanoyl]amino]-4-methyl-valeric acid benzyl ester Formula: C68H95N9O13 MolecularWeight: 1246.5344

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)NC(=O)C(CC2=CC=CC=C2)C(=O)NC(C(C)OCC3=CC=CC=C3)C(=O)NC(CC(C)C)C(=O)OCC4=CC=CC=C4)NC(=O)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)NC(=O)C(CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)OCC3=CC=CC=C3)C(=O)N[C@@H](CC(C)C)C(=O)OCC4=CC=CC=C4)NC(=O)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C68H95N9O13/c1-13-45(8)57(74-56(79)39-70-67(87)90-68(10,11)12)64(84)72-52(34-42(2)3)62(82)69-38-55(78)71-53(37-48-28-20-15-21-29-48)63(83)77-59(44(6)7)76-61(81)51(36-47-26-18-14-19-27-47)60(80)75-58(46(9)88-40-49-30-22-16-23-31-49)65(85)73-54(35-43(4)5)66(86)89-41-50-32-24-17-25-33-50/h14-33,42-46,51-54,57-59H,13,34-41H2,1-12H3,(H,69,82)(H,70,87)(H,71,78)(H,72,84)(H,73,85)(H,74,79)(H,75,80)(H,76,81)(H,77,83)/t45-,46+,51?,52-,53-,54-,57-,58-,59-/m0/s1