(phenylmethyl) 2-[[3-methyl-2-[2-[[2-[2-[[1-[3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]ethanoylamino]butanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]ethanoylamino]butanoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[3-methyl-2-[2-[[2-[2-[[1-[3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]ethanoylamino]butanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]ethanoylamino]butanoyl]amino]ethanoate Openeye Name: benzyl 2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[2-(tert-butoxycarbonylamino)propanoylamino]acetyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]acetate CAS Name: 2-[[3-methyl-2-[[2-[[2-[[2-[[[1-[3-methyl-2-[[2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-1-oxobutyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-methyl-2-[[2-[[2-[[2-[[1-[3-methyl-2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]butanoyl]amino]acetate Traditional Name: 2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[2-(tert-butoxycarbonylamino)propanoylamino]acetyl]amino]-3-methyl-butanoyl]prolyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]acetic acid benzyl ester Formula: C47H67N9O12 MolecularWeight: 950.08798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)C3CCCN3C(=O)C(C(C)C)NC(=O)CNC(=O)C(C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C(C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)C3CCCN3C(=O)C(C(C)C)NC(=O)CNC(=O)C(C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C47H67N9O12/c1-28(2)39(44(64)51-26-38(60)67-27-32-18-13-10-14-19-32)54-36(58)25-49-42(62)33(22-31-16-11-9-12-17-31)53-35(57)23-50-43(63)34-20-15-21-56(34)45(65)40(29(3)4)55-37(59)24-48-41(61)30(5)52-46(66)68-47(6,7)8/h9-14,16-19,28-30,33-34,39-40H,15,20-27H2,1-8H3,(H,48,61)(H,49,62)(H,50,63)(H,51,64)(H,52,66)(H,53,57)(H,54,58)(H,55,59)