CAS Number
Molecular Formula
C72H103N17O27
Product format
Neat
Molecular Weight
1638.71
API Family
Synonyms
(2S, 5S, 8R, 14S, 17R, 20S, 23S, 29S, 32S)-32-((R)-4-amino-2-((S)-2-decanamido-3-(1H-indol-3-yl)propanamido)-4-oxobutanamido)-2-(2-(2-aminophenyl)-2-oxoethyl)-23-(3-aminopropyl)-14, 20-bis(carboxymethyl)-5-((R)-1-carboxypropan-2-yl)-29-((R)-1-hydroxyethyl)-8-(hydroxymethyl)-17-methyl-4, 7, 10, 13, 16, 19, 22, 25, 28, 31-decaoxo-3, 6, 9, 12, 15, 18, 21, 24, 27 and 30-decaazatetratriacontanedioic acid
Iupac Name
(3R, 4S)-4-[[(2R)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S and 3R)-2-[[(2S)-2-[[(2R)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]pentanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-[[(1S)-3-(2-aminophenyl)-1-carboxy-3-oxopropyl]amino]-3-methyl-5-oxopentanoic acid
InChI
InChI=1S/C72H103N17O27/c1-5-6-7-8-9-10-11-22-53(94)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(109)84-45(27-52(75)93)67(110)86-48(30-59(103)104)68(111)89-61(37(4)91)70(113)78-33-54(95)80-43(21-16-23-73)64(107)85-47(29-58(101)102)65(108)79-36(3)62(105)83-46(28-57(99)100)63(106)77-32-55(96)82-50(34-90)69(112)88-60(35(2)24-56(97)98)71(114)87-49(72(115)116)26-51(92)40-18-12-14-19-41(40)74/h12-15,17-20,31,35-37,43-50,60-61,76,90-91H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,93)(H,77,106)(H,78,113)(H,79,108)(H,80,95)(H,81,94)(H,82,96)(H,83,105)(H,84,109)(H,85,107)(H,86,110)(H,87,114)(H,88,112)(H,89,111)(H,97,98)(H,99,100)(H,101,102)(H,103,104)(H,115,116)/t35-,36-,37-,43+,44+,45-,46+,47+,48+,49+,50-,60+,61+/m1/s1
