Account -
- Catalog No. :
- ACDDTR483
- CAS No. :
- 87805-34-3
- Molecular Formula :
- C186H275N51O59
- Molecular Weight :
- 4169.54
IUPAC Name:-
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Product Information
| Product Name | - |
|---|---|
| Molecular Formula | C186H275N51O59 |
| Molecular Weight | 4169.54 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC1=CNC=N1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C |
| InChI Key | UKVFVQPAANCXIL-FJVFSOETSA-N |
| CAS No. | 87805-34-3 |
Synthetic Route by SureRoute
2. ACDDTR483 Molecular Building Block Synthetic Route
(4S,7S,10R,13R,16S,22S,25S,28S,31S,34S,37S,40S,43S,46S,49S,52S,58S)-4-(((6S,12S,15S,18S,21S,24R,27S,30S)-21-((1H-indol-3-yl)methyl)-1-amino-12-(4-aminobutyl)-27-((R)-sec-butyl)-6-carbamoyl-1-imino-18-isobutyl-15-isopropyl-24-methyl-8,11,14,17,20,23,26,29-octaoxo-31-phenyl-2,7,10,13,16,19,22,25,28-nonaazahentriacontan-30-yl)carbamoyl)-58-(2-((S)-2-amino-3-(1H-imidazol-5-yl)propanamido)acetamido)-16-(3-amino-3-oxopropyl)-7-(4-aminobutyl)-49-benzyl-22-(2-carboxyethyl)-40-(carboxymethyl)-28-(4-hydroxybenzyl)-46,52-bis((S)-1-hydroxyethyl)-31,34,43-tris(hydroxymethyl)-25-isobutyl-37-isopropyl-10,13-dimethyl-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-octadecaoxo-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56-octadecaazahenhexacontanedioic acid
(5S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S,50S,53S,56S,59S,62S,65S,68S,71S,74S,77S,80S,86S)-20-((1H-Indol-3-yl)methyl)-86-((S)-2-((S)-2-amino-3-(1H-imidazol-5-yl)propanamido)propanamido)-44-(3-amino-3-oxopropyl)-11,35-bis(4-aminobutyl)-29,77-dibenzyl-26-((S)-sec-butyl)-32,50-bis(2-carboxyethyl)-68-(carboxymethyl)-5-(3-guanidinopropyl)-56-(4-hydroxybenzyl)-74,80-bis((R)-1-hydroxyethyl)-59,62,71-tris(hydroxymethyl)-17,53-diisobutyl-14,65-diisopropyl-23,38,41-trimethyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85-octacosaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84-octacosaazanonaoctacontanedioic acid
(5S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S,50S,53S,56S,59S,62S,65S,68S,71S,74S,77S,80S,86S)-20-((1H-indol-3-yl)methyl)-86-((S)-2-((S)-2-amino-3-(1H-imidazol-4-yl)propanamido)propanamido)-44-(3-amino-3-oxopropyl)-11,35-bis(4-aminobutyl)-29,77-dibenzyl-26-((S)-sec-butyl)-32,50-bis(2-carboxyethyl)-68-(carboxymethyl)-5-(3-guanidinopropyl)-56-(4-hydroxybenzyl)-74,80-bis((R)-1-hydroxyethyl)-59,62,71-tris(hydroxymethyl)-17,53-diisobutyl-14,65-diisopropyl-23,38,41-trimethyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85-octacosaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84-octacosaazanonaoctacontanedioic acid