PRD_002318
Summary
| Name: | SRC2-BCP1 |
| Formula: | C64 H109 N19 O15 |
| Fomular weight: | 1384.669 |
| Component type: | peptide-like |
| Polymer sequences: | ACE, HIS, LYS, MK8, LEU, HIS, LYS, MK8, LEU, GLN, ASP, SER, NH2 |
| Non-polymer components: | |
| BIRD class: | Inhibitor |
| Represented as: | polymer |
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(5~{S})-5-[[(2~{S})-2-acetamido-3-(1~{H}-imidazol-3-ium-4-yl)propanoyl]amino]-6-[[(1~{S},4~{S},7~{S},10~{S},19~{S},22~{S},25~{S},28~{S})-25-(3-azanyl-3-oxidanylidene-propyl)-28-[[(2~{S})-1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]-4-(1~{H}-imidazol-3-ium-4-ylmethyl)-10,19-dimethyl-7,22-bis(2-methylpropyl)-3,6,9,20,23,26,30,36-octakis(oxidanylidene)-2,5,8,21,24,27,37-heptaza-31-azoniabicyclo[17.16.2]heptatriacontan-10-yl]amino]-6-oxidanylidene-hexyl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@@H]1NC(=O)[C@]2(C)CCCCCCCC[C@](C)(NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c[nH+]4)C(=O)N[C@@H](CCCC[NH2+]C(=O)C[C@H](NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CO)C(N)=O)C(=O)N2 |
| SMILES | CACTVS | 3.385 | CC(C)C[CH]1NC(=O)[C]2(C)CCCCCCCC[C](C)(NC(=O)[CH](CCCC[NH3+])NC(=O)[CH](Cc3c[nH]c[nH+]3)NC(C)=O)C(=O)N[CH](CC(C)C)C(=O)N[CH](Cc4c[nH]c[nH+]4)C(=O)N[CH](CCCC[NH2+]C(=O)C[CH](NC(=O)[CH](CCC(N)=O)NC1=O)C(=O)N[CH](CO)C(N)=O)C(=O)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(=O)[NH2+]CCCC[C@H]2C(=O)N[C@@](CCCCCCCC[C@](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)Cc3c[nH]c[nH+]3)CC(C)C)(C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc4c[nH]c[nH+]4)NC(=O)C)(C(=O)N1)C)C(=O)N[C@@H](CO)C(=O)N)CCC(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC1C(=O)NC(C(=O)NC(CC(=O)[NH2+]CCCCC2C(=O)NC(CCCCCCCCC(C(=O)NC(C(=O)NC(C(=O)N2)Cc3c[nH]c[nH+]3)CC(C)C)(C)NC(=O)C(CCCC[NH3+])NC(=O)C(Cc4c[nH]c[nH+]4)NC(=O)C)(C(=O)N1)C)C(=O)NC(CO)C(=O)N)CCC(=O)N |
