prop-2-enyl (2S,3R)-2-[[(2S)-2-[[(2S)-4-[[(2R,3R,4R,5S,6R)-4-[[(3aS,4R,6R,7R,7aS)-7-acetyloxy-4-(hydroxymethyl)-2-oxidanylidene-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-3-acetamido-5-acetyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-yl]amino]-2-[[(2S)-4-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenylmethoxy-butanoate

Systemtic Name: prop-2-enyl (2S,3R)-2-[[(2S)-2-[[(2S)-4-[[(2R,3R,4R,5S,6R)-4-[[(3aS,4R,6R,7R,7aS)-7-acetyloxy-4-(hydroxymethyl)-2-oxidanylidene-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-3-acetamido-5-acetyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-yl]amino]-2-[[(2S)-4-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenylmethoxy-butanoate Openeye Name: allyl (2S,3R)-2-[[(2S)-2-[[(2S)-4-[[(2R,3R,4R,5S,6R)-4-[[(3aS,4R,6R,7R,7aS)-7-acetoxy-4-(hydroxymethyl)-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-3-acetamido-5-acetoxy-6-(triisopropylsilyloxymethyl)tetrahydropyran-2-yl]amino]-2-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-benzyloxy-butanoate CAS Name: (2S,3R)-2-[[(2S)-2-[[(2S)-4-[[(2R,3R,4R,5S,6R)-4-[[(3aS,4R,6R,7R,7aS)-7-acetyloxy-4-(hydroxymethyl)-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-3-acetamido-5-acetyloxy-6-[tri(propan-2-yl)silyloxymethyl]-2-oxanyl]amino]-2-[[(2S)-4-methyl-1-oxo-2-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]pentyl]amino]-1,4-dioxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylmethoxybutanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,3R)-2-[[(2S)-2-[[(2S)-4-[[(2R,3R,4R,5S,6R)-4-[[(3aS,4R,6R,7R,7aS)-7-acetyloxy-4-(hydroxymethyl)-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-3-acetamido-5-acetyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-yl]amino]-2-[[(2S)-4-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylmethoxybutanoate Traditional Name: (2S,3R)-2-[[(2S)-2-[[(2S)-4-[[(2R,3R,4R,5S,6R)-4-[[(3aS,4R,6R,7R,7aS)-7-acetoxy-2-keto-4-methylol-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-3-acetamido-5-acetoxy-6-(triisopropylsilyloxymethyl)tetrahydropyran-2-yl]amino]-2-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-benzoxy-butyric acid allyl ester Formula: C69H103N7O23Si MolecularWeight: 1426.67472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)NC1C(C(C(C(O1)CO[Si](C(C)C)(C(C)C)C(C)C)OC(=O)C)OC2C(C3C(C(O2)CO)OC(=O)O3)OC(=O)C)NC(=O)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)OCC4=CC=CC=C4)C(=O)OCC=C)NC(=O)C(C)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C[C@H]([C@@H](C(=O)OCC=C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[Si](C(C)C)(C(C)C)C(C)C)OC(=O)C)O[C@H]2[C@@H]([C@@H]3[C@H]([C@H](O2)CO)OC(=O)O3)OC(=O)C)NC(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C69H103N7O23Si/c1-17-28-89-66(86)54(42(13)90-33-46-24-20-18-21-25-46)76-64(85)49(30-37(4)5)73-63(84)50(74-62(83)48(29-36(2)3)72-61(82)41(12)70-68(87)91-34-47-26-22-19-23-27-47)31-53(81)75-65-55(71-43(14)78)58(97-67-60(94-45(16)80)59-56(51(32-77)96-67)98-69(88)99-59)57(93-44(15)79)52(95-65)35-92-100(38(6)7,39(8)9)40(10)11/h17-27,36-42,48-52,54-60,65,67,77H,1,28-35H2,2-16H3,(H,70,87)(H,71,78)(H,72,82)(H,73,84)(H,74,83)(H,75,81)(H,76,85)/t41-,42+,48-,49-,50-,51+,52+,54-,55+,56-,57+,58+,59-,60+,65+,67-/m0/s1