PRD_001000
Summary
| Name: | peptide ACE-SER-ALA-VAL-LEU-HIS-H |
| Formula: | C25 H42 N7 O7 |
| Fomular weight: | 552.644 |
| Component type: | peptide-like |
| Polymer sequences: | ACE, SER, ALA, VAL, LEU, HSV |
| Non-polymer components: | |
| BIRD class: | Enzyme inhibitor |
| Represented as: | polymer |
| Families: | FAM_000257 |
| Program | Version | Name |
| ACDLabs | 12.01 | N-acetyl-L-seryl-L-alanyl-L-valyl-N-[(2S)-1-(1H-imidazol-3-ium-4-yl)-3-oxopropan-2-yl]-L-leucinamide |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-oxidanyl-propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-N-[(2S)-1-(1H-imidazol-3-ium-4-yl)-3-oxidanylidene-propan-2-yl]-4-methyl-pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)Cc1cnc[nH+]1)CC(C)C)C(C)C)C)CO)C |
| InChI | InChI | 1.03 | InChI=1S/C25H41N7O7/c1-13(2)7-19(23(37)30-18(10-33)8-17-9-26-12-27-17)31-25(39)21(14(3)4)32-22(36)15(5)28-24(38)20(11-34)29-16(6)35/h9-10,12-15,18-21,34H,7-8,11H2,1-6H3,(H,26,27)(H,28,38)(H,29,35)(H,30,37)(H,31,39)(H,32,36)/p+1/t15-,18-,19-,20-,21+/m0/s1 |
| InChIKey | InChI | 1.03 | AEYIBAPLFDNVGD-DXUGQKIESA-O |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C=O |
| SMILES | CACTVS | 3.370 | CC(C)C[CH](NC(=O)[CH](NC(=O)[CH](C)NC(=O)[CH](CO)NC(C)=O)C(C)C)C(=O)N[CH](Cc1c[nH]c[nH+]1)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C=O)NC(=O)[C@H](CO)NC(=O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CC(C(=O)NC(Cc1c[nH]c[nH+]1)C=O)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CO)NC(=O)C |
