(phenylmethyl) (2S)-2-[[(4S)-4-[[(2S)-3-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-6-methyl-3-oxidanylidene-2-(triphenyl-$l^{5}-phosphanylidene)heptanoyl]amino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(4S)-4-[[(2S)-3-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-6-methyl-3-oxidanylidene-2-(triphenyl-$l^{5}-phosphanylidene)heptanoyl]amino]-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-[[(4S)-4-[[(2S)-2-(tert-butoxycarbonylamino)-3-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]oxy-butanoyl]amino]-6-methyl-3-oxo-2-(triphenyl-$l^{5}-phosphanylidene)heptanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(4S)-4-[[(2S)-3-[(2R)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-oxopropoxy]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]-6-methyl-1,3-dioxo-2-triphenylphosphoranylideneheptyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(4S)-4-[[(2S)-3-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-6-methyl-3-oxo-2-(triphenyl-$l^{5}-phosphanylidene)heptanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(4S)-4-[[(2S)-2-(tert-butoxycarbonylamino)-3-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]oxy-butanoyl]amino]-3-keto-6-methyl-2-triphenylphosphoranylidene-heptanoyl]amino]-4-methyl-valeric acid benzyl ester Formula: C66H75N4O11P MolecularWeight: 1131.295661

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC(CC(C)C)C(=O)OCC4=CC=CC=C4)NC(=O)C(C(C)OC(=O)C(C)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)OC(C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N[C@@H](CC(C)C)C(=O)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57

InChI

InChI=1S/C66H75N4O11P/c1-42(2)38-55(68-60(72)57(70-65(77)81-66(7,8)9)45(6)80-62(74)44(5)67-64(76)79-41-54-52-36-24-22-34-50(52)51-35-23-25-37-53(51)54)58(71)59(61(73)69-56(39-43(3)4)63(75)78-40-46-26-14-10-15-27-46)82(47-28-16-11-17-29-47,48-30-18-12-19-31-48)49-32-20-13-21-33-49/h10-37,42-45,54-57H,38-41H2,1-9H3,(H,67,76)(H,68,72)(H,69,73)(H,70,77)/t44-,45?,55+,56+,57+/m1/s1