prop-2-enyl (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R,3R)-3-[2-[[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]ethanoyloxy]-2-methyl-undecanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenylmethoxy-propanoate

Systemtic Name: prop-2-enyl (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R,3R)-3-[2-[[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]ethanoyloxy]-2-methyl-undecanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenylmethoxy-propanoate Openeye Name: allyl (2S)-3-benzyloxy-2-[[(2S,3R)-2-[[(2S)-2-[[(2R,3R)-3-[2-[[(2S,3S)-2-(tert-butoxycarbonylamino)-3-[tert-butyl(dimethyl)silyl]oxy-butanoyl]amino]acetyl]oxy-2-methyl-undecanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R,3R)-3-[2-[[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]-1-oxoethoxy]-2-methyl-1-oxoundecyl]-methylamino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-3-phenylmethoxypropanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R,3R)-3-[2-[[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]acetyl]oxy-2-methylundecanoyl]-methylamino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylmethoxypropanoate Traditional Name: (2S)-3-benzoxy-2-[[(2S,3R)-2-[[(2S)-2-[[(2R,3R)-3-[2-[[(2S,3S)-2-(tert-butoxycarbonylamino)-3-[tert-butyl(dimethyl)silyl]oxy-butanoyl]amino]acetyl]oxy-2-methyl-undecanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]propionic acid allyl ester Formula: C55H95N5O12Si MolecularWeight: 1046.4546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(C)C(=O)N(C)C(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(COCC1=CC=CC=C1)C(=O)OCC=C)OC(=O)CNC(=O)C(C(C)O[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCC[C@H]([C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)OCC=C)OC(=O)CNC(=O)[C@H]([C@H](C)O[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C55H95N5O12Si/c1-18-21-22-23-24-28-31-44(70-45(61)34-56-49(63)47(59-53(67)71-54(9,10)11)40(8)72-73(16,17)55(12,13)14)39(7)51(65)60(15)43(33-37(4)5)48(62)58-46(38(6)20-3)50(64)57-42(52(66)69-32-19-2)36-68-35-41-29-26-25-27-30-41/h19,25-27,29-30,37-40,42-44,46-47H,2,18,20-24,28,31-36H2,1,3-17H3,(H,56,63)(H,57,64)(H,58,62)(H,59,67)/t38-,39-,40+,42+,43+,44-,46+,47+/m1/s1