(2S)-2-[[(3S,6S,9S,12S)-12-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-amino-4-oxobutanoyl]amino]-6-benzyl-9-(1H-indol-3-ylmethyl)-5,8,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradecane-3-carbonyl]amino]-4-methyl
Modify Date: 2025-08-23 08:48:07
![(2S)-2-[[(3S,6S,9S,12S)-12-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-amino-4-oxobutanoyl]amino]-6-benzyl-9-(1H-indol-3-ylmethyl)-5,8,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradecane-3-carbonyl]amino]-4-methyl Structure](https://image.chemsrc.com/caspic/081/183747-35-5.png)
(2S)-2-[[(3S,6S,9S,12S)-12-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-amino-4-oxobutanoyl]amino]-6-benzyl-9-(1H-indol-3-ylmethyl)-5,8,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradecane-3-carbonyl]amino]-4-methyl structure
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Common Name | (2S)-2-[[(3S,6S,9S,12S)-12-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-amino-4-oxobutanoyl]amino]-6-benzyl-9-(1H-indol-3-ylmethyl)-5,8,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradecane-3-carbonyl]amino]-4-methyl | ||
|---|---|---|---|---|
| CAS Number | 183747-35-5 | Molecular Weight | 965.01600 | |
| Density | 1.46g/cm3 | Boiling Point | 1515.5ºC at 760mmHg | |
| Molecular Formula | C45H60N10O14 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 870.3ºC | |
| Name | (2S)-2-[[(3S,6S,9S,12S)-12-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-amino-4-oxobutanoyl]amino]-6-benzyl-9-(1H-indol-3-ylmethyl)-5,8,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradecane-3-carbonyl]amino]-4-methyl |
|---|---|
| Synonym | More Synonyms |
| Density | 1.46g/cm3 |
|---|---|
| Boiling Point | 1515.5ºC at 760mmHg |
| Molecular Formula | C45H60N10O14 |
| Molecular Weight | 965.01600 |
| Flash Point | 870.3ºC |
| Exact Mass | 964.42900 |
| PSA | 409.75000 |
| LogP | 0.97010 |
| Vapour Pressure | 0mmHg at 25°C |
| Index of Refraction | 1.66 |
| InChIKey | NGCNKEZHGRXHNL-WVWQGFTISA-N |
| SMILES | CC(=O)NC1C(NC(=O)CC2NC(=O)C(CC(C)C)NC(=O)C3CNC(=O)CC(NC2=O)C(=O)NC(Cc2c[nH]c4ccccc24)C(=O)NC(Cc2ccccc2)C(=O)N3)OC(CO)C(O)C1O |
| Nepadutant |
| MEN-11,420 |