CAS 2843557-76-4 is the registry number for NMB-1. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(1R,4R,9R,12S,15S,18S,21S,24S,27S,30S,33S,36R,39S,45S,48S)-18,21-bis(4-aminobutyl)-27-(2-amino-2-oxoethyl)-12,15-dibenzyl-45-[(2S)-butan-2-yl]-30,33-bis(3-carbamimidamidopropyl)-9-carbamoyl-24-(1H-imidazol-5-ylmethyl)-48-(2-methylpropyl)-3,11,14,17,20,23,26,29,32,35,38,44,47,50-tetradecaoxo-6,7,52,53-tetrathia-2,10,13,16,19,22,25,28,31,34,37,43,46,49-tetradecazatricyclo[34.14.4.039,43]tetrapentacontan-4-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanediamide (CAS 2843557-76-4) is a chemical compound with the molecular formula C111H164N36O21S4 and a molecular weight of 2467.0 g/mol. IUPAC name: (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(1R,4R,9R,12S,15S,18S,21S,24S,27S,30S,33S,36R,39S,45S,48S)-18,21-bis(4-aminobutyl)-27-(2-amino-2-oxoethyl)-12,15-dibenzyl-45-[(2S)-butan-2-yl]-30,33-bis(3-carbamimidamidopropyl)-9-carbamoyl-24-(1H-imidazol-5-ylmethyl)-48-(2-methylpropyl)-3,11,14,17,20,23,26,29,32,35,38,44,47,50-tetradecaoxo-6,7,52,53-tetrathia-2,10,13,16,19,22,25,28,31,34,37,43,46,49-tetradecazatricyclo[34.14.4.039,43]tetrapentacontan-4-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanediamide. InChIKey: DWDRIWQVJMGMNY-KJGHYZMMSA-N.
| Molecular formula | C111H164N36O21S4 |
|---|---|
| Molecular weight | 2467.0 g/mol |
| IUPAC name | (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(1R,4R,9R,12S,15S,18S,21S,24S,27S,30S,33S,36R,39S,45S,48S)-18,21-bis(4-aminobutyl)-27-(2-amino-2-oxoethyl)-12,15-dibenzyl-45-[(2S)-butan-2-yl]-30,33-bis(3-carbamimidamidopropyl)-9-carbamoyl-24-(1H-imidazol-5-ylmethyl)-48-(2-methylpropyl)-3,11,14,17,20,23,26,29,32,35,38,44,47,50-tetradecaoxo-6,7,52,53-tetrathia-2,10,13,16,19,22,25,28,31,34,37,43,46,49-tetradecazatricyclo[34.14.4.039,43]tetrapentacontan-4-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanediamide |
| InChIKey | DWDRIWQVJMGMNY-KJGHYZMMSA-N |
| SMILES | CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H]3CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)NC(=O)[C@H](CSSC[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](NC(=O)[C@@H](NC3=O)CCCNC(=N)N)CCCNC(=N)N)CC(=O)N)CC4=CN=CN4)CCCCN)CCCCN)CC5=CC=CC=C5)CC6=CC=CC=C6)C(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC9=CC=CC=C9)N |
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