Elpamotide is a promising immunotherapy product utilized in the biomedical industry. This innovative drug stimulates the patient's immune system, aiding in the recognition and destruction of cancer cells.
CAT No: R2041
CAS No: 673478-49-4
Chemical Name: (2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoic acid
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M.F/Formula | C47H76N16O13 |
M.W/Mr. | 1073.21 |
InChI | InChI=1S/C47H76N16O13/c1-5-25(4)37(45(75)76)62-40(70)28(15-10-18-55-47(52)53)58-41(71)30(21-33(49)64)57-34(65)23-56-39(69)31(22-35(66)67)60-43(73)32-16-11-19-63(32)44(74)36(24(2)3)61-42(72)29(20-26-12-7-6-8-13-26)59-38(68)27(48)14-9-17-54-46(50)51/h6-8,12-13,24-25,27-32,36-37H,5,9-11,14-23,48H2,1-4H3,(H2,49,64)(H,56,69)(H,57,65)(H,58,71)(H,59,68)(H,60,73)(H,61,72)(H,62,70)(H,66,67)(H,75,76)(H4,50,51,54)(H4,52,53,55)/t25-,27-,28-,29-,30-,31-,32-,36-,37-/m0/s1 |
InChI Key | ZAJHBCDPAUKEPU-GIKXZWSFSA-N |
Canonical SMILES | CCC(C)C(C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCN=C(N)N)N |
Isomeric SMILES | CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCN=C(N)N)N |
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