Cyclo(glu(O-benzyl)-sar-gly-(N-n-decyl)gly)2
(E,4S)-4-amino-6,7-dibenzyl-6-[[(3S,5S)-7-carboxy-5-[[2-(decylamino)acetyl]amino]-3-formyl-1-[[2-(methylamino)acetyl]amino]-2,4-dioxoheptan-3-yl]-[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-5-oxopentadec-7-enoic acid
Also Known As: Decyl-2E|Cyclo(glu(O-benzyl)-sar-gly-(N-n-decyl)gly)2|(E,4S)-4-amino-6,7-dibenzyl-6-[[(3S,5S)-7-carboxy-5-[[2-(decylamino)acetyl]amino]-3-formyl-1-[[2-(methylamino)acetyl]amino]-2,4-dioxoheptan-3-yl]-[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-5-oxopentadec-7-enoic acid|(E,4S)-4-amino-6,7-dibenzyl-6-[[(3S,5S)-5-[[2-(decylamino)acetyl]amino]-3-formyl-8-hydroxy-1-[[2-(methylamino)acetyl]amino]-2,4,8-trioxooctan-3-yl]-[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-5-oxopentadec-7-enoic acid
| Molecular Formula | C58H88N8O12 |
|---|---|
| Molecular Weight | 1088.6522 g/mol |
| LogP | 3.9143 |
| Topological Polar Surface Area | 312.6 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 45 |
| Exact Mass | 1088.6522 |
| Monoisotopic Mass | 1088.6522 |
| Heavy Atoms | 78 |
| Complexity | 2246.5686 |
Chemical Identifiers
| CAS Number | 73243-34-2 |
|---|---|
| SMILES | CCCCCCCCCCNCC(=O)N[C@@H](CCC(=O)O)C(=O)[C@](C=O)(C(=O)CNC(=O)CNC)N(C(=O)CNC(=O)CNC)C(CC1=CC=CC=C1)(/C(=C/CCCCCCC)/CC2=CC=CC=C2)C(=O)[C@H](CCC(=O)O)N |
Product Overview
Cyclo(glu(O-benzyl)-sar-gly-(N-n-decyl)gly)2 (CAS 73243-34-2), with molecular formula C58H88N8O12 and molecular weight 1088.6522 g/mol. IUPAC: (E,4S)-4-amino-6,7-dibenzyl-6-[[(3S,5S)-7-carboxy-5-[[2-(decylamino)acetyl]amino]-3-formyl-1-[[2-(methylamino)acetyl]amino]-2,4-dioxoheptan-3-yl]-[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-5-oxopentadec-7-enoic acid.