19-tert-butyl 1-methyl 17-amino-14-{4-[(tert-butoxycarbonyl)amino]butyl}-11-(3-tert-butoxy-3-oxopropyl)-2-[(1H-indol-3-yl)methyl]-4,7,10,13,16-pentaoxo-5-(propan-2-yl)-8-{[(triphenylmethyl)sulfanyl]me thyl}-3,6,9,12,15-pentaazanonadecane-1,19-dioate
Chemical Structure Depiction of
19-tert-butyl 1-methyl 17-amino-14-{4-[(tert-butoxycarbonyl)amino]butyl}-11-(3-tert-butoxy-3-oxopropyl)-2-[(1H-indol-3-yl)methyl]-4,7,10,13,16-pentaoxo-5-(propan-2-yl)-8-{[(triphenylmethyl)sulfanyl]me thyl}-3,6,9,12,15-pentaazanonadecane-1,19-dioate
19-tert-butyl 1-methyl 17-amino-14-{4-[(tert-butoxycarbonyl)amino]butyl}-11-(3-tert-butoxy-3-oxopropyl)-2-[(1H-indol-3-yl)methyl]-4,7,10,13,16-pentaoxo-5-(propan-2-yl)-8-{[(triphenylmethyl)sulfanyl]me thyl}-3,6,9,12,15-pentaazanonadecane-1,19-dioate
Compound characteristics
| Compound ID: | 8004-2811 |
| Compound Name: | 19-tert-butyl 1-methyl 17-amino-14-{4-[(tert-butoxycarbonyl)amino]butyl}-11-(3-tert-butoxy-3-oxopropyl)-2-[(1H-indol-3-yl)methyl]-4,7,10,13,16-pentaoxo-5-(propan-2-yl)-8-{[(triphenylmethyl)sulfanyl]me thyl}-3,6,9,12,15-pentaazanonadecane-1,19-dioate |
| Molecular Weight: | 1247.57 |
| Molecular Formula: | C67 H90 N8 O13 S |
| Smiles: | CC(C)C(C(NC(Cc1c[nH]c2ccccc12)C(=O)OC)=O)NC(C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(C(CCC(=O)OC(C)(C)C)NC(C(CCCCNC(=O)OC(C)(C)C)NC(C(CC(=O)OC(C)(C)C)N)=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.7886 |
| logD: | 7.5577 |
| logSw: | -5.8909 |
| Hydrogen bond acceptors count: | 24 |
| Hydrogen bond donors count: | 9 |
| Polar surface area: | 242.809 |
| InChI Key: | UUCGPPBWWXPPMY-UHFFFAOYSA-N |