PRD_002373
Summary
Name: | ACE-VAL-ARG-MET-B2A |
Formula: | C20 H41 B N7 O6 S |
Fomular weight: | 518.459 |
Component type: | peptide-like |
Polymer sequences: | ACE, VAL, ARG, MET, B2A |
Non-polymer components: | |
BIRD class: | Inhibitor |
Represented as: | polymer |
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | [[[(4~{S})-4-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-5-[[(2~{S})-1-[[(1~{R})-1-(dihydroxyboranyl)ethyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentyl]amino]-azanyl-methylidene]azanium |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.385 | CSCC[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](C)B(O)O |
SMILES | CACTVS | 3.385 | CSCC[CH](NC(=O)[CH](CCCNC(N)=[NH2+])NC(=O)[CH](NC(C)=O)C(C)C)C(=O)N[CH](C)B(O)O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B([C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)[C@H](C(C)C)NC(=O)C)(O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | B(C(C)NC(=O)C(CCSC)NC(=O)C(CCCNC(=[NH2+])N)NC(=O)C(C(C)C)NC(=O)C)(O)O |