Account (2S,4R)-1-(((S)-2-((R)-2-amino-5-((diaminomethylene)amino)pentanamido)-5-((diaminomethylene)amino)pentanoyl)-L-prolyl)-N-(2-(((S)-1-(((8S,13S,15aS,16aS,20aS,22aR)-13-(3-((diaminomethylene)amino)propyl)-7,12,15,22-tetraoxo-5,8,9,10,11,12,13,14,15,15a,16,16a,17,18,19,20,20a,22,22a,23-icosahydro-7H-indolo[1',2':4,5][1,4,7,10]tetraazacyclotetradecino[1,2-b]isoquinolin-8-yl)amino)-1-oxo-3-(thiophen-2-yl)propan-2-yl)amino)-2-oxoethyl)-4-hydroxypyrrolidine-2-carboxamide
- Catalog No. :
- ACSGFJ662
- CAS No. :
- 235082-52-7
- Molecular Formula :
- C60H90N20O11S
- Molecular Weight :
- 1299.58
IUPAC Name:(2S,4R)-1-(((S)-2-((R)-2-amino-5-((diaminomethylene)amino)pentanamido)-5-((diaminomethylene)amino)pentanoyl)-L-prolyl)-N-(2-(((S)-1-(((8S,13S,15aS,16aS,20aS,22aR)-13-(3-((diaminomethylene)amino)propyl)-7,12,15,22-tetraoxo-5,8,9,10,11,12,13,14,15,15a,16,16a,17,18,19,20,20a,22,22a,23-icosahydro-7H-indolo[1',2':4,5][1,4,7,10]tetraazacyclotetradecino[1,2-b]isoquinolin-8-yl)amino)-1-oxo-3-(thiophen-2-yl)propan-2-yl)amino)-2-oxoethyl)-4-hydroxypyrrolidine-2-carboxamide
![(2S,4R)-1-(((S)-2-((R)-2-amino-5-((diaminomethylene)amino)pentanamido)-5-((diaminomethylene)amino)pentanoyl)-L-prolyl)-N-(2-(((S)-1-(((8S,13S,15aS,16aS,20aS,22aR)-13-(3-((diaminomethylene)amino)propyl)-7,12,15,22-tetraoxo-5,8,9,10,11,12,13,14,15,15a,16,16a,17,18,19,20,20a,22,22a,23-icosahydro-7H-indolo[1',2':4,5][1,4,7,10]tetraazacyclotetradecino[1,2-b]isoquinolin-8-yl)amino)-1-oxo-3-(thiophen-2-yl)propan-2-yl)amino)-2-oxoethyl)-4-hydroxypyrrolidine-2-carboxamide structure diagram](/images/productimg/no-pic.svg)
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| Product Name | (2S,4R)-1-(((S)-2-((R)-2-amino-5-((diaminomethylene)amino)pentanamido)-5-((diaminomethylene)amino)pentanoyl)-L-prolyl)-N-(2-(((S)-1-(((8S,13S,15aS,16aS,20aS,22aR)-13-(3-((diaminomethylene)amino)propyl)-7,12,15,22-tetraoxo-5,8,9,10,11,12,13,14,15,15a,16,16a,17,18,19,20,20a,22,22a,23-icosahydro-7H-indolo[1',2':4,5][1,4,7,10]tetraazacyclotetradecino[1,2-b]isoquinolin-8-yl)amino)-1-oxo-3-(thiophen-2-yl)propan-2-yl)amino)-2-oxoethyl)-4-hydroxypyrrolidine-2-carboxamide |
|---|---|
| IUPAC Name | (2S,4R)-1-(((S)-2-((R)-2-amino-5-((diaminomethylene)amino)pentanamido)-5-((diaminomethylene)amino)pentanoyl)-L-prolyl)-N-(2-(((S)-1-(((8S,13S,15aS,16aS,20aS,22aR)-13-(3-((diaminomethylene)amino)propyl)-7,12,15,22-tetraoxo-5,8,9,10,11,12,13,14,15,15a,16,16a,17,18,19,20,20a,22,22a,23-icosahydro-7H-indolo[1',2':4,5][1,4,7,10]tetraazacyclotetradecino[1,2-b]isoquinolin-8-yl)amino)-1-oxo-3-(thiophen-2-yl)propan-2-yl)amino)-2-oxoethyl)-4-hydroxypyrrolidine-2-carboxamide |
| MDL No. | MFCD18252659 |
| Molecular Formula | C60H90N20O11S |
| Molecular Weight | 1299.58 |
| SMILES | NC(N)=NCCC[C@@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CS1)C(=O)N[C@H]1CCNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H]2CC3=CC=CC=C3CN2C1=O |
| InChI Key | LPLBKEKLEUYDEJ-CQSFJRBESA-N |
| Synonym | MEN 11270;L-Arginine, D-arginyl-L-arginyl-L-prolyl-(4R)-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-(2S)-2,4-diaminobutanoyl-(3R)-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-(2S,3aS,7aS)-octahydro-1H-indole-2-carbonyl-, (10→7)-lactam;MEN 11270 Acetate |
| CAS No. | 235082-52-7 |
Synthetic Route by SureRoute
2. ACSGFJ662 Molecular Building Block Synthetic Route
((2S,3aS,7aS)-1-((R)-2-(((S)-2-(2-((2S,4R)-1-(D-arginyl-L-arginyl-L-prolyl)-4-hydroxypyrrolidine-2-carboxamido)acetamido)-3-(thiophen-2-yl)propanoyl)-L-seryl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)octahydro-1H-indole-2-carbonyl)-L-arginine--acetic acid (1/1)
((2S,3aS,7aS)-1-((R)-2-(((S)-2-(2-((2S,4R)-1-(D-Arginyl-L-arginyl-L-prolyl)-4-hydroxypyrrolidine-2-carboxamido)acetamido)-3-(thiophen-2-yl)propanoyl)-L-seryl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)octahydro-1H-indole-2-carbonyl)-L-arginine
(S)-2-(((S)-2-((S)-1-(((S)-2-(2-((2S,4R)-1-(((S)-2-amino-5-((diaminomethylene)amino)pentanoyl)-L-prolyl)-4-hydroxypyrrolidine-2-carboxamido)acetamido)-3-(thiophen-2-yl)propanoyl)-L-seryl)pyrrolidine-2-carboxamido)-3-(4-methoxyphenyl)propyl)amino)-5-((diaminomethylene)amino)pentanoic acid