tert-butyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]-methyl-amino]-4-oxidanylidene-4-phenylmethoxy-butanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]-methyl-amino]-4-oxidanylidene-4-phenylmethoxy-butanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoate Openeye Name: tert-butyl (2S)-2-[[(2S)-2-[[(2S)-4-benzyloxy-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]-methyl-amino]-4-oxo-butanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-oxopropyl]-methylamino]-1,4-dioxo-4-phenylmethoxybutyl]-methylamino]-4-methyl-1-oxopentyl]-methylamino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]-methylamino]-4-oxo-4-phenylmethoxybutanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-4-benzoxy-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]-methyl-amino]-4-keto-butanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butyric acid tert-butyl ester Formula: C47H62N4O9 MolecularWeight: 827.01658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C)C(C(C)C)C(=O)OC(C)(C)C)N(C)C(=O)C(CC(=O)OCC1=CC=CC=C1)N(C)C(=O)C(C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

C[C@H](C(=O)N(C)[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)OC(C)(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C47H62N4O9/c1-29(2)25-38(44(55)51(11)41(30(3)4)45(56)60-47(6,7)8)50(10)43(54)39(26-40(52)58-27-32-19-13-12-14-20-32)49(9)42(53)31(5)48-46(57)59-28-37-35-23-17-15-21-33(35)34-22-16-18-24-36(34)37/h12-24,29-31,37-39,41H,25-28H2,1-11H3,(H,48,57)/t31-,38+,39+,41+/m1/s1