(phenylmethyl) N-[(5S)-5-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-yl-propanoyl]amino]-6-(pyridin-2-ylcarbonylamino)hexanoyl]amino]-6-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-6-oxidanylidene-hexyl]-N-propan-2-yl-carbamate

Systemtic Name: (phenylmethyl) N-[(5S)-5-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-yl-propanoyl]amino]-6-(pyridin-2-ylcarbonylamino)hexanoyl]amino]-6-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-6-oxidanylidene-hexyl]-N-propan-2-yl-carbamate Openeye Name: benzyl N-[(5S)-5-[[(2R)-2-[[(2R)-2-acetamido-3-(2-naphthyl)propanoyl]amino]-6-(pyridine-2-carbonylamino)hexanoyl]amino]-6-[(2S)-2-carbamoylpyrrolidin-1-yl]-6-oxo-hexyl]-N-isopropyl-carbamate CAS Name: N-[(5S)-5-[[(2R)-2-[[(2R)-2-acetamido-3-(2-naphthalenyl)-1-oxopropyl]amino]-1-oxo-6-[[oxo(2-pyridinyl)methyl]amino]hexyl]amino]-6-[(2S)-2-carbamoyl-1-pyrrolidinyl]-6-oxohexyl]-N-propan-2-ylcarbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(5S)-5-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-6-(pyridine-2-carbonylamino)hexanoyl]amino]-6-[(2S)-2-carbamoylpyrrolidin-1-yl]-6-oxohexyl]-N-propan-2-ylcarbamate Traditional Name: N-[(5S)-5-[[(2R)-2-[[(2R)-2-acetamido-3-(2-naphthyl)propanoyl]amino]-6-picolinamido-hexanoyl]amino]-6-[(2S)-2-carbamoylpyrrolidino]-6-keto-hexyl]-N-isopropyl-carbamic acid benzyl ester Formula: C49H62N8O8 MolecularWeight: 891.06538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCCC(C(=O)N1CCCC1C(=O)N)NC(=O)C(CCCCNC(=O)C2=CC=CC=N2)NC(=O)C(CC3=CC4=CC=CC=C4C=C3)NC(=O)C)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)N(CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C@@H](CCCCNC(=O)C2=CC=CC=N2)NC(=O)[C@@H](CC3=CC4=CC=CC=C4C=C3)NC(=O)C)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C49H62N8O8/c1-33(2)56(49(64)65-32-35-16-5-4-6-17-35)28-14-11-22-41(48(63)57-29-15-23-43(57)44(50)59)55-46(61)40(21-10-13-27-52-45(60)39-20-9-12-26-51-39)54-47(62)42(53-34(3)58)31-36-24-25-37-18-7-8-19-38(37)30-36/h4-9,12,16-20,24-26,30,33,40-43H,10-11,13-15,21-23,27-29,31-32H2,1-3H3,(H2,50,59)(H,52,60)(H,53,58)(H,54,62)(H,55,61)/t40-,41+,42-,43+/m1/s1