PRD_002284
Summary
Name: | |
Formula: | C37 H57 N11 O11 |
Fomular weight: | 831.916 |
Component type: | peptide-like |
Polymer sequences: | PHQ, GLN, THR, ALA, ARG, LYS, NH2 |
Non-polymer components: | |
BIRD class: | Inhibitor |
Represented as: | polymer |
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | [(5~{S})-5-[[(2~{S})-5-[[azaniumylidene(azanyl)methyl]amino]-2-[[(2~{S})-2-[[(2~{S},3~{R})-2-[[(2~{S})-5-azanyl-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoyl]amino]pentanoyl]amino]-6-azanyl-6-oxidanylidene-hexyl]-(furan-2-ylcarbonyl)azanium |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH2+]C(=O)c2occc2)C(N)=O |
SMILES | CACTVS | 3.385 | C[CH](O)[CH](NC(=O)[CH](CCC(N)=O)NC(=O)OCc1ccccc1)C(=O)N[CH](C)C(=O)N[CH](CCCNC(N)=[NH2+])C(=O)N[CH](CCCC[NH2+]C(=O)c2occc2)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N[C@@H](CCCC[NH2+]C(=O)c1ccco1)C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)OCc2ccccc2)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C(C(=O)NC(C)C(=O)NC(CCCNC(=[NH2+])N)C(=O)NC(CCCC[NH2+]C(=O)c1ccco1)C(=O)N)NC(=O)C(CCC(=O)N)NC(=O)OCc2ccccc2)O |