Antipain
(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid
| Molecular Formula | C27H44N10O6 |
|---|---|
| Molecular Weight | 604.7 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 283.0 A2 |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 604.34454 |
| Heavy Atoms | 43 |
| Complexity | 975.0 |
Chemical Identifiers
| CAS Number | 37691-11-5 |
|---|---|
| SMILES | CC(C)C(C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C(CCCN=C(N)N)NC(=O)NC(CC1=CC=CC=C1)C(=O)O |
| InChIKey | SDNYTAYICBFYFH-TUFLPTIASA-N |
📖 Product Overview
Antipain (CAS: 37691-11-5) is a chemical compound with molecular formula C27H44N10O6 and molecular weight 604.7 g/mol. Its IUPAC systematic name is (2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid.
SDNYTAYICBFYFH-TUFLPTIASA-N.
SMILES: CC(C)C(C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C(CCCN=C(N)N)NC(=O)NC(CC1=CC=CC=C1)C(=O)O.
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