
| CAS Number | 284040-76-2 |
| Catalog Number | AG00C4IS(AGN-PC-0R405V) |
| Chemical Name | Ac9-25 |
| IUPAC Name | (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-amino-5-oxopentanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-6-aminohexanoic acid |
| InChI | InChI=1S/C99H143N23O33/c1-10-49(6)81(121-94(149)67(42-53-18-12-11-13-19-53)117-91(146)69(44-55-46-105-58-21-15-14-20-57(55)58)115-83(138)50(7)106-84(139)59(107-52(9)124)27-34-71(101)126)97(152)113-65(33-40-78(136)137)89(144)118-70(45-74(104)129)92(147)111-63(31-38-76(132)133)87(142)109-62(30-37-75(130)131)86(141)108-60(28-35-72(102)127)85(140)110-64(32-39-77(134)135)88(143)116-68(43-54-23-25-56(125)26-24-54)93(148)119-79(47(2)3)95(150)112-61(29-36-73(103)128)90(145)122-82(51(8)123)98(153)120-80(48(4)5)96(151)114-66(99(154)155)22-16-17-41-100/h11-15,18-21,23-26,46-51,59-70,79-82,105,123,125H,10,16-17,22,27-45,100H2,1-9H3,(H2,101,126)(H2,102,127)(H2,103,128)(H2,104,129)(H,106,139)(H,107,124)(H,108,141)(H,109,142)(H,110,140)(H,111,147)(H,112,150)(H,113,152)(H,114,151)(H,115,138)(H,116,143)(H,117,146)(H,118,144)(H,119,148)(H,120,153)(H,121,149)(H,122,145)(H,130,131)(H,132,133)(H,134,135)(H,136,137)(H,154,155)/t49-,50-,51+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,79-,80-,81-,82-/m0/s1 |
| InChI Key | VWAGQOJTUDBVPD-ZONPJGGESA-N |
| MDL Number | MFCD00058192 |
| Molecular Formula | C99H143N23O33 |
| Molecular Weight | 2183.329 |
| SMILES | NCCCC[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CCC(=O)N)C)Cc1ccccc1)CCC(=O)O)CC(=O)N)CCC(=O)O)CCC(=O)O)CCC(=O)N)CCC(=O)O)Cc1ccc(cc1)O)CCC(=O)N |
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