Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)NC(C(=O)O)CCCNC(=[NH2+])/N)C(C)C)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCC[NH3+])CC(C)C)CCCNC(=[NH2+])/N)CCC1)C(C)C)C)CCSC)C(C)C)CCCNC(=[NH2+])\N)CCC2)CCCCNC(=O)CC |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(C)=O)C(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(O)=O |
SMILES | CACTVS | 3.385 | CCC(=O)NCCCC[CH](NC(=O)[CH]1CCCN1C(=O)[CH](CCCNC(N)=[NH2+])NC(=O)[CH](NC(=O)[CH](CCSC)NC(=O)[CH](C)NC(=O)[CH](NC(=O)[CH]2CCCN2C(=O)[CH](CCCNC(N)=[NH2+])NC(=O)[CH](CC(C)C)NC(=O)[CH](CCCC[NH3+])NC(C)=O)C(C)C)C(C)C)C(=O)N[CH](C(C)C)C(=O)N[CH](CCCNC(N)=[NH2+])C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)C |
SMILES | OpenEye OEToolkits | 1.9.2 | CCC(=O)NCCCCC(C(=O)NC(C(C)C)C(=O)NC(CCCNC(=[NH2+])N)C(=O)O)NC(=O)C1CCCN1C(=O)C(CCCNC(=[NH2+])N)NC(=O)C(C(C)C)NC(=O)C(CCSC)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(CCCNC(=[NH2+])N)NC(=O)C(CC(C)C)NC(=O)C(CCCC[NH3+])NC(=O)C |