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(2E,4E,6E,10E,16E,18E,20E,22E,24E,26Z,34E,42E,48E)-56-[[azanyl-(pyrrolidin-2-ylcarbonylamino)methylidene]amino]-2,12,14,29-tetramethyl-13,15,31,33,37,39,41,45,47,51,53-undecakis(oxidanyl)-30-oxidanylidene-28-sulfooxy-hexapentaconta-2,4,6,10,16,18,20,22,24,26,34,42,48-tridecaenoic acid
(2E,4E,6E,10E,16E,18E,20E,22E,24E,26Z,34E,42E,48E)-56-[[azanyl-(pyrrolidin-2-ylcarbonylamino)methylidene]amino]-2,12,14,29-tetramethyl-13,15,31,33,37,39,41,45,47,51,53-undecakis(oxidanyl)-30-oxidanylidene-28-sulfooxy-hexapentaconta-2,4,6,10,16,18,20,22,24,26,34,42,48-tridecaenoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CC(C=CCCC=CC=CC=C(C)C(=O)O)C(C(C)C(C=CC=CC=CC=CC=CC=CC(C(C)C(=O)C(CC(C=CCC(CC(CC(C=CCC(CC(C=CCC(CC(CCCN=C(N)NC(=O)C1CCCN1)O)O)O)O)O)O)O)O)O)OS(=O)(=O)O)O)O
Isomeric SMILES
CC(/C=C/CC/C=C/C=C/C=C(\C)/C(=O)O)C(C(C)C(/C=C/C=C/C=C/C=C/C=C/C=C\C(C(C)C(=O)C(CC(/C=C/CC(CC(CC(/C=C/CC(CC(/C=C/CC(CC(CCCN=C(N)NC(=O)C1CCCN1)O)O)O)O)O)O)O)O)O)OS(=O)(=O)O)O)O
InChI
InChI=1S/C66H102N4O19S/c1-46(27-18-14-10-9-11-15-19-28-47(2)65(84)85)62(81)48(3)59(79)37-20-16-12-7-5-6-8-13-17-21-38-61(89-90(86,87)88)49(4)63(82)60(80)45-56(77)34-24-33-54(75)44-57(78)43-53(74)32-23-31-51(72)41-50(71)29-22-30-52(73)42-55(76)35-25-40-69-66(67)70-64(83)58-36-26-39-68-58/h5-9,11-13,15-24,27-29,32,34,37-38,46,48-62,68,71-81H,10,14,25-26,30-31,33,35-36,39-45H2,1-4H3,(H,84,85)(H,86,87,88)(H3,67,69,70,83)/b7-5+,8-6+,11-9+,16-12+,17-13+,19-15+,27-18+,29-22+,32-23+,34-24+,37-20+,38-21-,47-28+
Other Product
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- 2-oxidanylidene-3-sulfanyl-propanoic acid
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- 3-azanylpropanal
- 2-azanyl-3-oxidanyl-benzoic acid
- 3-(3-hydroxyphenyl)propanoic acid
- 3-oxidanylidenehexanedioic acid
- 2-chloranyl-4-methyl-1,2-dihydropyridine-3-carbonitrile
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid
- [(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[(2R)-6-azanyl-1-[[(2R)-6-azanyl-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[3-azanyl-1-[[(2S)-1-azanyl-5-methyl-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5
- (2S,3S,4S,5R,6S)-6-[[(3S,6aR,6bS,7S,8R,8aR,9S,10R,14bR)-9-[(2R,3S,4S,5S,6S)-4,5-diacetyloxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-7,8-bis(oxidanyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-oxane-2-carboxylic acid
- [4-hexadecanoyloxy-6-(hydroxymethyl)-2-[6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-sulfooxy-oxan-2-yl]oxy-5-oxidanyl-oxan-3-yl] 2,4,6,8,10,12,14,16,18-nonamethyl-19-oxidanyl-tetratriacontanoate
- 2-[2-(hexadecanoylamino)ethoxy]ethyl 2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(3S,12S,15S,18S,21R,24S,25S)-12-aminocarbonyl-18-[3-[bis(azanyl)methylideneamino]propyl]-15-(1H-indol-3-ylmethyl)-25-oxidanyl-2,6,14,17,20,23-hexakis(oxidanylidene)-21-(phenylmethyl)-1,7,13,16,19,22-hexazabicyclo[22.3.0]heptacosan-3-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]ethanoate
- [(3S,5R,6S,7R,8E,10R,11R,12Z,14E)-21-[2-[2-[2-[4-[4-[1-[6-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]ethyl]-2-methoxy-5-nitro-phenoxy]butanoylamino]ethoxy]ethoxy]ethylamino]-5,11-dimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
- tert-butyl 2-[[3,5-bis[bis[2,3-bis(oxidanyl)propyl]carbamoyl]-2,4,6-tris(iodanyl)phenyl]-[2-[2-oxidanylidene-2-[4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecakis(fluoranyl)heptylsulfonyl]piperazin-1-yl]ethoxy]ethanoyl]amino]ethanoate
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- ethyl 2-[(2S,3R,4R,5R)-2-[[2-[(2S,3R,4R,5R)-2-[[2-[(2S,3R,4R,5R)-2-[[2-[(2S,3R,4R,5R)-2-(azidomethyl)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-[tert-butyl(dimethyl)silyl]oxy-oxolan-3-yl]ethanoylamino]methyl]-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-[tert-butyl(dimethyl)silyl]oxy-oxolan-3-yl]ethanoylamino]methyl]-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-[tert-butyl(dimethyl)silyl]oxy-oxolan-3-yl]ethanoylamino]methyl]-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-[tert-butyl(dimethyl)silyl]oxy-oxolan-3-yl]
