
| CAS Number | 113731-96-7 |
| Catalog Number | AG008RMS(AGN-PC-0P5A36) |
| Chemical Name | H-ARG-PHE-ALA-ARG-LYS-GLY-ALA-LEU-ARG-GLN-LYS-ASN-VAL-HIS-GLU-VAL-LYS-ASN-OH |
| IUPAC Name | (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-[[(2S)-1-[[(2S)-6-amino-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid |
| InChI | InChI=1S/C93H159N35O24/c1-47(2)39-62(122-74(135)50(7)113-70(132)45-111-77(138)55(24-12-15-33-94)116-78(139)58(27-19-37-109-92(103)104)115-75(136)51(8)114-84(145)63(40-52-21-10-9-11-22-52)123-76(137)54(97)23-18-36-108-91(101)102)85(146)118-59(28-20-38-110-93(105)106)79(140)119-60(29-31-67(98)129)82(143)117-56(25-13-16-34-95)80(141)124-65(42-68(99)130)87(148)128-73(49(5)6)89(150)125-64(41-53-44-107-46-112-53)86(147)120-61(30-32-71(133)134)83(144)127-72(48(3)4)88(149)121-57(26-14-17-35-96)81(142)126-66(90(151)152)43-69(100)131/h9-11,21-22,44,46-51,54-66,72-73H,12-20,23-43,45,94-97H2,1-8H3,(H2,98,129)(H2,99,130)(H2,100,131)(H,107,112)(H,111,138)(H,113,132)(H,114,145)(H,115,136)(H,116,139)(H,117,143)(H,118,146)(H,119,140)(H,120,147)(H,121,149)(H,122,135)(H,123,137)(H,124,141)(H,125,150)(H,126,142)(H,127,144)(H,128,148)(H,133,134)(H,151,152)(H4,101,102,108)(H4,103,104,109)(H4,105,106,110)/t50-,51-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-/m0/s1 |
| InChI Key | NHCJMYZDRROLEW-OFXZVSIYSA-N |
| MDL Number | MFCD00864507 |
| Molecular Formula | C93H159N35O24 |
| Molecular Weight | 2151.4777 |
| SMILES | [C@@H](NC(=O)[C@H]([C@@H](C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)CC1C=CC=CC=1)(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)CC(=O)N)CC1NC=NC=1 |
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