CAS 3027437-21-1 is the registry number for S1b3inL1. Offered by: MedChemExpress. Available pack sizes: Get quote.
3-[(3S,6S,9S,15R,18S,21S,24S,27S,30S,36S,39S,42S,45S,48S,51S,54S)-15-[(2-amino-2-oxoethyl)carbamoyl]-45-(3-amino-3-oxopropyl)-18-benzyl-36,39,42-tris[(2S)-butan-2-yl]-3,6,51-tris(3-carbamimidamidopropyl)-30-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-24-(1H-indol-3-ylmethyl)-27-(2-methylpropyl)-2,5,8,11,17,20,23,26,29,32,35,38,41,44,47,50,53-heptadecaoxo-21-propan-2-yl-13-thia-1,4,7,10,16,19,22,25,28,31,34,37,40,43,46,49,52-heptadecazabicyclo[52.3.0]heptapentacontan-48-yl]propanoic acid (CAS 3027437-21-1) is a chemical compound with the molecular formula C103H158N30O24S and a molecular weight of 2232.6 g/mol. IUPAC name: 3-[(3S,6S,9S,15R,18S,21S,24S,27S,30S,36S,39S,42S,45S,48S,51S,54S)-15-[(2-amino-2-oxoethyl)carbamoyl]-45-(3-amino-3-oxopropyl)-18-benzyl-36,39,42-tris[(2S)-butan-2-yl]-3,6,51-tris(3-carbamimidamidopropyl)-30-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-24-(1H-indol-3-ylmethyl)-27-(2-methylpropyl)-2,5,8,11,17,20,23,26,29,32,35,38,41,44,47,50,53-heptadecaoxo-21-propan-2-yl-13-thia-1,4,7,10,16,19,22,25,28,31,34,37,40,43,46,49,52-heptadecazabicyclo[52.3.0]heptapentacontan-48-yl]propanoic acid. InChIKey: WNWMLJXIIMUUFW-RGPRAEECSA-N.
| Molecular formula | C103H158N30O24S |
|---|---|
| Molecular weight | 2232.6 g/mol |
| IUPAC name | 3-[(3S,6S,9S,15R,18S,21S,24S,27S,30S,36S,39S,42S,45S,48S,51S,54S)-15-[(2-amino-2-oxoethyl)carbamoyl]-45-(3-amino-3-oxopropyl)-18-benzyl-36,39,42-tris[(2S)-butan-2-yl]-3,6,51-tris(3-carbamimidamidopropyl)-30-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-24-(1H-indol-3-ylmethyl)-27-(2-methylpropyl)-2,5,8,11,17,20,23,26,29,32,35,38,41,44,47,50,53-heptadecaoxo-21-propan-2-yl-13-thia-1,4,7,10,16,19,22,25,28,31,34,37,40,43,46,49,52-heptadecazabicyclo[52.3.0]heptapentacontan-48-yl]propanoic acid |
| InChIKey | WNWMLJXIIMUUFW-RGPRAEECSA-N |
| SMILES | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)N)CCC(=O)O)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CC3=CC=C(C=C3)O)C(=O)NCC(=O)N)CC4=CC=CC=C4)C(C)C)CC5=CNC6=CC=CC=C65)CC(C)C)CO)[C@@H](C)CC)[C@@H](C)CC |
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