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CAT No: GR2162
CAS No: 168202-45-7
Chemical Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
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M.F/Formula | C81H127N19O27 |
M.W/Mr. | 1798.99 |
Sequence | One Letter Code: AEEEIYGEFEAKKKK Three Letter Code: H-Ala-Glu-Glu-Glu-Ile-Tyr-Gly-Glu-Phe-Glu-Ala-Lys-Lys-Lys-Lys-OH |
InChI | InChI=1S/C81H127N19O27/c1-5-44(2)67(100-78(123)57(31-36-66(111)112)95-77(122)56(30-35-65(109)110)94-76(121)55(29-34-64(107)108)90-68(113)45(3)86)80(125)99-59(42-48-23-25-49(101)26-24-48)70(115)87-43-61(102)89-53(27-32-62(103)104)75(120)98-60(41-47-17-7-6-8-18-47)79(124)96-54(28-33-63(105)106)71(116)88-46(4)69(114)91-50(19-9-13-37-82)72(117)92-51(20-10-14-38-83)73(118)93-52(21-11-15-39-84)74(119)97-58(81(126)127)22-12-16-40-85/h6-8,17-18,23-26,44-46,50-60,67,101H,5,9-16,19-22,27-43,82-86H2,1-4H3,(H,87,115)(H,88,116)(H,89,102)(H,90,113)(H,91,114)(H,92,117)(H,93,118)(H,94,121)(H,95,122)(H,96,124)(H,97,119)(H,98,120)(H,99,125)(H,100,123)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,126,127)/t44-,45-,46-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,67-/m0/s1 |
InChI Key | GOYOFKFQGBSBHI-IQHBYITESA-N |
Canonical SMILES | CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)N |
Isomeric SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N |
References | 1. Summy, JM. and Gallick, GE. Cancer Metastasis Rev. 22, 337 (2003); 2. Rodríguez-Fernández, J. and E. Rozengurt, J. Biol. Chem. 273, 19321 (1998); 3. Qi, J. et al. J. Biol. Chem. 274, 14455 (1999). |
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