Account NVP018
- Catalog No. :
- ACGMDA271
- CAS No. :
- 1401924-49-9
- Molecular Formula :
- C45H62FN5O11
- Molecular Weight :
- 868.01
IUPAC Name:(3S,6S,9R,10R,11S,12S,13E,15E,18S)-18-((2E,4E)-6-(1,2-oxazinan-2-yl)-6-oxohexa-2,4-dien-2-yl)-3-(3-fluoro-5-hydroxybenzyl)-10,12-dihydroxy-6-isopropyl-11-methyl-9-(3-oxobutyl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetraone
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Product Information
| Product Name | NVP018 |
|---|---|
| IUPAC Name | (3S,6S,9R,10R,11S,12S,13E,15E,18S)-18-((2E,4E)-6-(1,2-oxazinan-2-yl)-6-oxohexa-2,4-dien-2-yl)-3-(3-fluoro-5-hydroxybenzyl)-10,12-dihydroxy-6-isopropyl-11-methyl-9-(3-oxobutyl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetraone |
| Molecular Formula | C45H62FN5O11 |
| Molecular Weight | 868.01 |
| SMILES | CC(=O)CC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC(O)=CC(F)=C2)C(=O)N2CCCC(N2)C(=O)O[C@H](/C(C)=C/C=C/C(=O)N2CCCCO2)C/C=C/C=C/[C@H](O)[C@H](C)[C@H]1O |
| InChI Key | CFLBTKFHBBDVKC-RROFBZPUSA-N |
| Synonym | NVP-018;3-Pyridazinecarboxylic acid, N1-[N-[(2R,3R,4S,5S,6E,8E,11S,12E,14E)-3,5,11-trihydroxy-4,12-dimethyl-1,16-dioxo-2-(3-oxobutyl)-16-(tetrahydro-2H-1,2-oxazin-2-yl)-6,8,12,14-hexadecatetraen-1-yl]-L-valyl-3-fluoro-5-hydroxy-L-phenylalanyl]hexahydro-, (3→111)-lactone, (3S)- |
| CAS No. | 1401924-49-9 |
Synthetic Route by SureRoute
2. ACGMDA271 Molecular Building Block Synthetic Route
A 83586C
(SP-4-3)-[1-(Diphenylphosphino-κP)-1′-(diphenylphosphino)ferrocene](methanesulfonato-κO)[2′-(methylamino-κN)[1,1′-biphenyl]-2-yl-κC]palladium
4-((2S)-2-((2S)-2-(6-(3-((3-(((3R,4R,5S,6R)-2-((26-((S)-10-benzyl-1-(((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)amino)-1,6,9,12,15-pentaoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-yl)-27-oxo-2,5,8,11,14,17,20,23-octaoxa-29-thia-26-azadotriacontan-32-yl)oxy)-3-(4-(24-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3,19-dioxo-6,9,12,15-tetraoxa-2,18-diazatetracosyl)-1H-1,2,3-triazol-1-yl)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)propyl)thio)-2,5-dioxopyrrolidin-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate
