Account 4-(2-(3-(1H-indol-3-yl)-2-(1-((5-oxopyrrolidine-2-carbonyl)glycyl)pyrrolidine-2-carboxamido)propanamido)-4-methylpentanamido)-5-((4-carboxy-1-((4-carboxy-1-((4-carboxy-1-((4-carboxy-1-((1-((1-((2-((1-carboxy-2-(1H-indol-3-yl)ethyl)amino)-2-oxoethyl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-1-oxopropan-2-yl)amino)-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)amino)-5-oxopentanoic acid
- Catalog No. :
- ACBMDY820
- CAS No. :
- 100940-57-6
- Molecular Formula :
- C79H100N16O27
- Molecular Weight :
- 1705.75
IUPAC Name:4-(2-(3-(1H-indol-3-yl)-2-(1-((5-oxopyrrolidine-2-carbonyl)glycyl)pyrrolidine-2-carboxamido)propanamido)-4-methylpentanamido)-5-((4-carboxy-1-((4-carboxy-1-((4-carboxy-1-((4-carboxy-1-((1-((1-((2-((1-carboxy-2-(1H-indol-3-yl)ethyl)amino)-2-oxoethyl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-1-oxopropan-2-yl)amino)-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)amino)-5-oxopentanoic acid
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Product Information
| Product Name | 4-(2-(3-(1H-indol-3-yl)-2-(1-((5-oxopyrrolidine-2-carbonyl)glycyl)pyrrolidine-2-carboxamido)propanamido)-4-methylpentanamido)-5-((4-carboxy-1-((4-carboxy-1-((4-carboxy-1-((4-carboxy-1-((1-((1-((2-((1-carboxy-2-(1H-indol-3-yl)ethyl)amino)-2-oxoethyl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-1-oxopropan-2-yl)amino)-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)amino)-5-oxopentanoic acid |
|---|---|
| IUPAC Name | 4-(2-(3-(1H-indol-3-yl)-2-(1-((5-oxopyrrolidine-2-carbonyl)glycyl)pyrrolidine-2-carboxamido)propanamido)-4-methylpentanamido)-5-((4-carboxy-1-((4-carboxy-1-((4-carboxy-1-((4-carboxy-1-((1-((1-((2-((1-carboxy-2-(1H-indol-3-yl)ethyl)amino)-2-oxoethyl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-1-oxopropan-2-yl)amino)-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)amino)-5-oxopentanoic acid |
| MDL No. | MFCD00076504 |
| Molecular Formula | C79H100N16O27 |
| Molecular Weight | 1705.75 |
| SMILES | CC(C)CC(NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C1CCCN1C(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)O |
| InChI Key | WRJJBRDFCLLYQF-UHFFFAOYSA-N |
| Synonym | PGLU-GLY-PRO-TRP-LEU-GLU-GLU-GLU-GLU-GLU-ALA-TYR-GLY-TRP;PYR-GLY-PRO-TRP-LEU-GLU-GLU-GLU-GLU-GLU-ALA-TYR-GLY-TRP-OH;PYR-GLY-PRO-TRP-LEU-GLU-GLU-GLU-GLU-GLU-ALA-TYR-GLY-TRP;GASTRIN I HUMAN FRAGMENT 1-14;GASTRIN I (1-14) (HUMAN);gastrin I fragment human 1-14;gastrin i fragment 1-14 human;18-31-Gastrin I (swine), 18-(5-oxo-L-proline)-22-L-leucine- (9CI) |
| CAS No. | 100940-57-6 |
Synthetic Route by SureRoute
2. ACBMDY820 Molecular Building Block Synthetic Route
H-Tyr-Pro-Pro-Trp-OH
L-Tryptophyl-L-prolyl-L-tyrosine
4-(2-(3-(1H-indol-3-yl)-2-(1-((5-oxopyrrolidine-2-carbonyl)glycyl)pyrrolidine-2-carboxamido)propanamido)-4-methylpentanamido)-5-((1-((1-((1-((1-((1-((1-((4-((1H-indol-3-yl)methyl)-13-carbamoyl-10-(carboxymethyl)-7-isobutyl-2,5,8,11-tetraoxo-14-phenyl-3,6,9,12-tetraazatetradecyl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-1-oxopropan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-5-oxopentanoic acid