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| Duplicate ID | |
|---|---|
| Molecule Name | 11-(3-{[amino(imino)methyl]amino}propyl)-8-benzyl-5-(tert-butoxymethyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid |
| N-[(benzyloxy)carbonyl]-O-(tert-butyl)serylphenylalanylarginine | |
| Smiles | NC(=N)NCCCC(C(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)OCc1ccccc1)COC(C)(C)C |
| Cas Number | |
| InchiKey | YJJMWIGHLXQIJG-UHFFFAOYSA-N |
| InChi | InChI=1S/C30H42N6O7/c1-30(2,3)43-19-24(36-29(41)42-18-21-13-8-5-9-14-21)26(38)35-23(17-20-11-6-4-7-12-20)25(37)34-22(27(39)40)15-10-16-33-28(31)32/h4-9,11-14,22-24H,10,15-19H2,1-3H3,(H,34,37)(H,35,38)(H,36,41)(H,39,40)(H4,31,32,33) |
| Formula | C30H42N6O7 |
| Molecular weight | 598.69 |
| Rings | 2 |
| logP | 4.0203 |
| PSA | 204.96 |
| MR | 160.088 |