4-{2-[20-(3-Amino-1-hydroxy-3-oxopropyl)-9-[(10,12-dimethyltetradecanoyl)amino]-2,11,12,15-tetrahydroxy-6-(1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl]-1,2-dihydroxyethyl}phenyl β-alaninate hydrochloride (1:1)
Modify Date: 2025-08-25 17:42:38
![4-{2-[20-(3-Amino-1-hydroxy-3-oxopropyl)-9-[(10,12-dimethyltetradecanoyl)amino]-2,11,12,15-tetrahydroxy-6-(1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl]-1,2-dihydroxyethyl}phenyl β-alaninate hydrochloride (1:1) Structure](https://image.chemsrc.com/caspic/304/138661-18-4.png)
4-{2-[20-(3-Amino-1-hydroxy-3-oxopropyl)-9-[(10,12-dimethyltetradecanoyl)amino]-2,11,12,15-tetrahydroxy-6-(1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl]-1,2-dihydroxyethyl}phenyl β-alaninate hydrochloride (1:1) structure
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Common Name | 4-{2-[20-(3-Amino-1-hydroxy-3-oxopropyl)-9-[(10,12-dimethyltetradecanoyl)amino]-2,11,12,15-tetrahydroxy-6-(1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl]-1,2-dihydroxyethyl}phenyl β-alaninate hydrochloride (1:1) | ||
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| CAS Number | 138661-18-4 | Molecular Weight | 1172.75000 | |
| Density | N/A | Boiling Point | 1464.7ºC at 760 mmHg | |
| Molecular Formula | C53H86ClN9O18 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 839.6ºC | |
| Name | 4-{2-[20-(3-Amino-1-hydroxy-3-oxopropyl)-9-[(10,12-dimethyltetradecanoyl)amino]-2,11,12,15-tetrahydroxy-6-(1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl]-1,2-dihydroxyethyl}phenyl β-alaninate hydrochloride (1:1) |
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| Synonym | More Synonyms |
| Boiling Point | 1464.7ºC at 760 mmHg |
|---|---|
| Molecular Formula | C53H86ClN9O18 |
| Molecular Weight | 1172.75000 |
| Flash Point | 839.6ºC |
| Exact Mass | 1171.58000 |
| PSA | 461.81000 |
| LogP | 0.67900 |
| Vapour Pressure | 0mmHg at 25°C |
| InChIKey | IUJKTRPPNXFQPH-UHFFFAOYSA-N |
| SMILES | CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(O)C(O)NC(=O)C2C(O)CCN2C(=O)C(C(O)CC(N)=O)NC(=O)C(C(O)C(O)c2ccc(OC(=O)CCN)cc2)NC(=O)C2CC(O)CN2C(=O)C(C(C)O)NC1=O.Cl |
| L-688,786 prodrug-8g |
| β-Alanine, 4-[2-[20-(3-amino-1-hydroxy-3-oxopropyl)-9-[(10,12-dimethyl-1-oxotetradecyl)amino]tetracosahydro-2,11,12,15-tetrahydroxy-6-(1-hydroxyethyl)-5,8,14,19,22,25-hexaoxo-1H-dipyrrolo[2,1-c:2', 1'-l][1,4,7,10,13,16]hexaazacycloheneicosin-23-yl]-1,2-dihydroxyethyl]phenyl ester, hydrochloride (1:1) |
| cyclic (6(R)1)-peptide,4-ester with b-alanine,monohydrochloride,trans |
| L-Proline,N-(10,12-dimethyl-1-oxotetradecyl)-(4R,5R)-4,5-dihydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-glutaminyl-3-hydroxy-,cyclic (6y1)-peptide,4-ester with b-alanine,monohydrochloride,trans |
| 4-{2-[20-(3-Amino-1-hydroxy-3-oxopropyl)-9-[(10,12-dimethyltetradecanoyl)amino]-2,11,12,15-tetrahydroxy-6-(1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13 ;,16]hexaazacyclohenicosin-23-yl]-1,2-dihydroxyethyl}phenyl β-alaninate hydrochloride (1:1) |