Amino-(2-amino-2-oxo-ethyl)-(3-amino-3-oxo-propyl)-(2-carboxyethyl)-bis(carboxymethyl)-[(1r)-1-hydroxyethyl]-tris(hydroxymethyl)-tetrakis[(4-hydroxyphenyl)methyl]-isopropyl-bis[(1s)-1-methylpropyl]-(2-methylsulfanylethyl)-icosaoxo-[?]carboxylic acid

Structural Information

Molecular Formula

C₁₀₉H₁₅₃N₂₃O₃₈S₃

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N1)CO)CO)C(C)C)CCC(=O)N)CC4=CC=C(C=C4)O)CC(=O)O)CCSC)N)C(=O)O)CCC(=O)O)CO)[C@@H](C)O)CC5=CC=C(C=C5)O)CC6=CC=C(C=C6)O)CC(=O)N)[C@@H](C)CC)CC(=O)O)CC7=CC=C(C=C7)O

InChI

InChI=1S/C109H153N23O38S3/c1-9-52(5)86-104(164)122-71(43-81(112)142)95(155)116-68(40-56-17-25-60(138)26-18-56)93(153)118-70(42-58-21-29-62(140)30-22-58)97(157)130-88(54(7)136)106(166)124-74(46-133)99(159)115-66(32-34-82(143)144)107(167)131-36-11-13-78(131)101(161)126-77(109(169)170)50-173-172-49-63(110)89(149)113-65(35-38-171-8)90(150)119-72(44-83(145)146)96(156)117-67(39-55-15-23-59(137)24-16-55)92(152)114-64(31-33-80(111)141)91(151)127-85(51(3)4)103(163)123-75(47-134)100(160)125-76(48-135)108(168)132-37-12-14-79(132)102(162)129-87(53(6)10-2)105(165)121-69(41-57-19-27-61(139)28-20-57)94(154)120-73(45-84(147)148)98(158)128-86/h15-30,51-54,63-79,85-88,133-140H,9-14,31-50,110H2,1-8H3,(H2,111,141)(H2,112,142)(H,113,149)(H,114,152)(H,115,159)(H,116,155)(H,117,156)(H,118,153)(H,119,150)(H,120,154)(H,121,165)(H,122,164)(H,123,163)(H,124,166)(H,125,160)(H,126,161)(H,127,151)(H,128,158)(H,129,162)(H,130,157)(H,143,144)(H,145,146)(H,147,148)(H,169,170)/t52-,53-,54+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,85-,86-,87-,88-/m0/s1

InChIKey

ULSBUGLIFRAQGH-ZXLLTQHBSA-N

Compound name

(3S,6S,9S,12S,15S,18S,21S,24R,29R,32S,38S,41S,44S,47S,50S,53S,56S,59S,62S,65S,68S)-24-amino-53-(2-amino-2-oxoethyl)-12-(3-amino-3-oxopropyl)-56,65-bis[(2S)-butan-2-yl]-38-(2-carboxyethyl)-18,59-bis(carboxymethyl)-44-[(1R)-1-hydroxyethyl]-3,6,41-tris(hydroxymethyl)-15,47,50,62-tetrakis[(4-hydroxyphenyl)methyl]-21-(2-methylsulfanylethyl)-2,5,8,11,14,17,20,23,31,37,40,43,46,49,52,55,58,61,64,67-icosaoxo-9-propan-2-yl-26,27-dithia-1,4,7,10,13,16,19,22,30,36,39,42,45,48,51,54,57,60,63,66-icosazatricyclo[66.3.0.032,36]henheptacontane-29-carboxylic acid

Related CIDs

• CID 16131833