(phenylmethyl) (2S)-2-[[(2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyloxy]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyloxy]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate Openeye Name: benzyl (2S)-2-[[(2R)-2-[[2-(tert-butoxycarbonylamino)acetyl]oxy-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-oxopropyl]-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethoxy]amino]-3-methyl-1-oxobutyl]amino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxyamino]-3-methylbutanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2R)-2-[[2-(tert-butoxycarbonylamino)acetyl]oxy-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butyric acid benzyl ester Formula: C42H52N4O10 MolecularWeight: 772.88308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H52N4O10/c1-25(2)35(39(50)53-23-28-16-10-9-11-17-28)45-37(48)36(26(3)4)46(56-34(47)22-43-40(51)55-42(6,7)8)38(49)27(5)44-41(52)54-24-33-31-20-14-12-18-29(31)30-19-13-15-21-32(30)33/h9-21,25-27,33,35-36H,22-24H2,1-8H3,(H,43,51)(H,44,52)(H,45,48)/t27-,35-,36+/m0/s1