(phenylmethyl) (2S)-1-[(2R)-2-[[(2S)-1-[(2R)-1-[(2S)-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylpiperidin-2-yl]carbonyl-methyl-amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[(2R)-2-[[(2S)-1-[(2R)-1-[(2S)-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylpiperidin-2-yl]carbonyl-methyl-amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[(2R)-2-[[(2S)-1-[(2R)-1-[(2S)-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]-methyl-amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2R)-2-[[[(2S)-1-[[(2R)-1-[(2S)-2-[[(2R)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-2-piperidinyl]-oxomethyl]-methylamino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(2R)-2-[[(2S)-1-[(2R)-1-[(2S)-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2R)-2-[[(2S)-1-[(2R)-1-[(2S)-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]prolyl]pipecoloyl]-methyl-amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C63H72N6O9 MolecularWeight: 1057.28058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1C(=O)N2CCCCC2C(=O)N(C)C(CC3=CC=CC=C3)C(=O)N4CCCC4C(=O)OCC5=CC=CC=C5)NC(=O)C(CC6=CC=CC=C6)NC(=O)OCC7C8=CC=CC=C8C9=CC=CC=C79

Isomeric SMILES

CCC(C)[C@@H](C(=O)N1CCC[C@@H]1C(=O)N2CCCC[C@H]2C(=O)N(C)[C@H](CC3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)OCC5=CC=CC=C5)NC(=O)[C@@H](CC6=CC=CC=C6)NC(=O)OCC7C8=CC=CC=C8C9=CC=CC=C79

InChI

InChI=1S/C63H72N6O9/c1-4-42(2)56(65-57(70)51(38-43-22-8-5-9-23-43)64-63(76)78-41-50-48-30-16-14-28-46(48)47-29-15-17-31-49(47)50)61(74)68-36-20-33-53(68)59(72)67-35-19-18-32-52(67)58(71)66(3)55(39-44-24-10-6-11-25-44)60(73)69-37-21-34-54(69)62(75)77-40-45-26-12-7-13-27-45/h5-17,22-31,42,50-56H,4,18-21,32-41H2,1-3H3,(H,64,76)(H,65,70)/t42?,51-,52+,53-,54+,55-,56+/m1/s1