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C27H40N8O7 | 2-[(2S,5R,8S,11S)-5-benzyl-11-{3-[(diaminomethylidene)amino]propyl}-7-methyl-3,6,9,12,15-pentaoxo-8-(propan-2-yl)-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetic acid
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IUPAC traditional

2-[(2S,5R,8S,11S)-5-benzyl-11-{3-[(diaminomethylidene)amino]propyl}-7-methyl-3,6,9,12,15-pentaoxo-8-(propan-2-yl)-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetic acid

Molecular formula C27H40N8O7
Molecular weight 588.666
DMSO solubility Unknown
SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r|
Compound number Molport-008-156-037
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Supplier Country of Origin Type Amount in mg Size Purity Purity Number Price Shipping Total price Ships out by n/a                        
Molnova China SC 2 2 mg 99% 99 74.00 USD 60.00 USD 134.00 USD 25 Dec 2023 11 Details Add to Cart Buy M12961 1077040826 AMLYAMJWYAIXIA-VWNVYAMZSA-N 99% Molnova > 3 months ago n/a supplier/Molnova/7008
Molnova China SC 5 5 mg 99% 99 114.00 USD 60.00 USD 174.00 USD 25 Dec 2023 11 Details Add to Cart Buy M12961 1077040826 AMLYAMJWYAIXIA-VWNVYAMZSA-N 99% Molnova > 3 months ago n/a supplier/Molnova/7008
Molnova China SC 10 10 mg 99% 99 161.00 USD 60.00 USD 221.00 USD 25 Dec 2023 11 Details Add to Cart Buy M12961 1077040826 AMLYAMJWYAIXIA-VWNVYAMZSA-N 99% Molnova > 3 months ago n/a supplier/Molnova/7008
Molnova China SC 25 25 mg 99% 99 291.00 USD 60.00 USD 351.00 USD 25 Dec 2023 11 Details Add to Cart Buy M12961 1077040826 AMLYAMJWYAIXIA-VWNVYAMZSA-N 99% Molnova > 3 months ago n/a supplier/Molnova/7008
Molnova China SC 50 50 mg 99% 99 496.00 USD 60.00 USD 556.00 USD 25 Dec 2023 11 Details Add to Cart Buy M12961 1077040826 AMLYAMJWYAIXIA-VWNVYAMZSA-N 99% Molnova > 3 months ago n/a supplier/Molnova/7008
BioTechne Ireland Limited Ireland SC 10 10 mg >95% 95 300.00 USD 60.00 USD 360.00 USD 25 Dec 2023 11 Details Add to Cart Buy 5870 1070598576 AMLYAMJWYAIXIA-VWNVYAMZSA-N >95% BioTechne Ireland Limited > 3 months ago n/a supplier/BioTechne-Ireland-Limited/3249
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Compound Identifiers

Compound number
Molport-008-156-037
CAS number
188968-51-6

Names, Synonyms and 3rd Party Identifiers

ZINC000003952216
Cilengitide
MFCD04307743

InChI

InChI
1/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1
InChI key
AMLYAMJWYAIXIA-VWNVYAMZSA-N

Formula

Molecular formula
C27H40N8O7
Molecular weight
588.666

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