(phenylmethyl) (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxy-propanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxy-propanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]propanoate Openeye Name: benzyl (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2R)-3-benzyloxy-2-(tert-butoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-6-(benzyloxycarbonylamino)hexanoyl]amino]propanoate CAS Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[[(2S)-1-[(2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylmethoxypropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2R)-3-benzoxy-2-(tert-butoxycarbonylamino)propanoyl]prolyl]amino]propanoyl]amino]-6-(benzyloxycarbonylamino)hexanoyl]amino]propionic acid benzyl ester Formula: C47H62N6O11 MolecularWeight: 887.02878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)NC(C)C(=O)OCC2=CC=CC=C2)NC(=O)C3CCCN3C(=O)C(COCC4=CC=CC=C4)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)N[C@H](C)C(=O)OCC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](COCC4=CC=CC=C4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C47H62N6O11/c1-32(49-42(56)39-25-17-27-53(39)43(57)38(52-46(60)64-47(3,4)5)31-61-28-34-18-9-6-10-19-34)40(54)51-37(24-15-16-26-48-45(59)63-30-36-22-13-8-14-23-36)41(55)50-33(2)44(58)62-29-35-20-11-7-12-21-35/h6-14,18-23,32-33,37-39H,15-17,24-31H2,1-5H3,(H,48,59)(H,49,56)(H,50,55)(H,51,54)(H,52,60)/t32-,33-,37+,38-,39+/m1/s1