Account (3S,6S,9S,12R,17R,20S,23S,26S,29R,34aS)-N-((S)-1-amino-5-guanidino-1-oxopentan-2-yl)-17-((S)-2-((S)-2-((S)-2-amino-5-guanidinopentanamido)-5-guanidinopentanamido)-3-(naphthalen-2-yl)propanamido)-26-(4-aminobutyl)-6-(3-guanidinopropyl)-3,20-bis(4-hydroxybenzyl)-1,4,7,10,18,21,24,27,30-nonaoxo-9,23,29-tris(3-ureidopropyl)triacontahydro-1H,16H-pyrrolo[2,1-p][1,2]dithia[5,8,11,14,17,20,23,26,29]nonaazacyclodotriacontine-12-carboxamide
- Catalog No. :
- ACKMBR757
- CAS No. :
- 368874-34-4
- Molecular Formula :
- C90H140N34O19S2
- Molecular Weight :
- 2066.46
IUPAC Name:(3S,6S,9S,12R,17R,20S,23S,26S,29R,34aS)-N-((S)-1-amino-5-guanidino-1-oxopentan-2-yl)-17-((S)-2-((S)-2-((S)-2-amino-5-guanidinopentanamido)-5-guanidinopentanamido)-3-(naphthalen-2-yl)propanamido)-26-(4-aminobutyl)-6-(3-guanidinopropyl)-3,20-bis(4-hydroxybenzyl)-1,4,7,10,18,21,24,27,30-nonaoxo-9,23,29-tris(3-ureidopropyl)triacontahydro-1H,16H-pyrrolo[2,1-p][1,2]dithia[5,8,11,14,17,20,23,26,29]nonaazacyclodotriacontine-12-carboxamide
![(3S,6S,9S,12R,17R,20S,23S,26S,29R,34aS)-N-((S)-1-amino-5-guanidino-1-oxopentan-2-yl)-17-((S)-2-((S)-2-((S)-2-amino-5-guanidinopentanamido)-5-guanidinopentanamido)-3-(naphthalen-2-yl)propanamido)-26-(4-aminobutyl)-6-(3-guanidinopropyl)-3,20-bis(4-hydroxybenzyl)-1,4,7,10,18,21,24,27,30-nonaoxo-9,23,29-tris(3-ureidopropyl)triacontahydro-1H,16H-pyrrolo[2,1-p][1,2]dithia[5,8,11,14,17,20,23,26,29]nonaazacyclodotriacontine-12-carboxamide structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3S,6S,9S,12R,17R,20S,23S,26S,29R,34aS)-N-((S)-1-amino-5-guanidino-1-oxopentan-2-yl)-17-((S)-2-((S)-2-((S)-2-amino-5-guanidinopentanamido)-5-guanidinopentanamido)-3-(naphthalen-2-yl)propanamido)-26-(4-aminobutyl)-6-(3-guanidinopropyl)-3,20-bis(4-hydroxybenzyl)-1,4,7,10,18,21,24,27,30-nonaoxo-9,23,29-tris(3-ureidopropyl)triacontahydro-1H,16H-pyrrolo[2,1-p][1,2]dithia[5,8,11,14,17,20,23,26,29]nonaazacyclodotriacontine-12-carboxamide |
|---|---|
| IUPAC Name | (3S,6S,9S,12R,17R,20S,23S,26S,29R,34aS)-N-((S)-1-amino-5-guanidino-1-oxopentan-2-yl)-17-((S)-2-((S)-2-((S)-2-amino-5-guanidinopentanamido)-5-guanidinopentanamido)-3-(naphthalen-2-yl)propanamido)-26-(4-aminobutyl)-6-(3-guanidinopropyl)-3,20-bis(4-hydroxybenzyl)-1,4,7,10,18,21,24,27,30-nonaoxo-9,23,29-tris(3-ureidopropyl)triacontahydro-1H,16H-pyrrolo[2,1-p][1,2]dithia[5,8,11,14,17,20,23,26,29]nonaazacyclodotriacontine-12-carboxamide |
| Molecular Formula | C90H140N34O19S2 |
| Molecular Weight | 2066.46 |
| SMILES | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCNC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O |
| InChI Key | SGDDHDBBOJNZKY-LNDHEDFZSA-N |
| Synonym | TC 14012;SGDDHDBBOJNZKY-LNDHEDFZSA-N;L-Argininamide, L-arginyl-L-arginyl-3-(2-naphthalenyl)-L-alanyl-L-cysteinyl-L-tyrosyl-N5-(aminocarbonyl)-L-ornithyl-L-lysyl-N5-(aminocarbonyl)-D-ornithyl-L-prolyl-L-tyrosyl-L-arginyl-N5-(aminocarbonyl)-L-ornithyl-L-cysteinyl-, cyclic (4→13)-disulfide;TC 14012 （TFA ）;TC 14012, Peptidomimetic CXCR4 antagonist |
| CAS No. | 368874-34-4 |
Synthetic Route by SureRoute
2. ACKMBR757 Molecular Building Block Synthetic Route
TN-14003
Lypressin
(2S)-N-((S)-6-amino-1-((2-amino-2-oxoethyl)amino)-1-oxohexan-2-yl)-1-((4R,7S,10S,16S,19R)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-19-(2-(2-(2-aminoacetamido)acetamido)acetamido)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)pyrrolidine-2-carboxamide diacetate