PRD_000990
Summary
| Name: | peptide ACE-SER-ALA-VAL-ALC-HIS-H |
| Formula: | C28 H46 N7 O7 |
| Fomular weight: | 592.708 |
| Component type: | peptide-like |
| Polymer sequences: | ACE, SER, ALA, VAL, ALC, 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-3-cyclohexyl-N-[(2S)-1-(1H-imidazol-3-ium-4-yl)-3-oxopropan-2-yl]-L-alaninamide |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-oxidanyl-propanoyl]amino]propanoyl]amino]-N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(1H-imidazol-3-ium-4-yl)-3-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-3-methyl-butanamide |
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)CC2CCCCC2)C(C)C)C)CO)C |
| InChI | InChI | 1.03 | InChI=1S/C28H45N7O7/c1-16(2)24(35-25(39)17(3)31-27(41)23(14-37)32-18(4)38)28(42)34-22(10-19-8-6-5-7-9-19)26(40)33-21(13-36)11-20-12-29-15-30-20/h12-13,15-17,19,21-24,37H,5-11,14H2,1-4H3,(H,29,30)(H,31,41)(H,32,38)(H,33,40)(H,34,42)(H,35,39)/p+1/t17-,21-,22-,23-,24+/m0/s1 |
| InChIKey | InChI | 1.03 | SENRSUXIIOUWCL-DROZZWDISA-O |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C=O |
| SMILES | CACTVS | 3.370 | CC(C)[CH](NC(=O)[CH](C)NC(=O)[CH](CO)NC(C)=O)C(=O)N[CH](CC1CCCCC1)C(=O)N[CH](Cc2c[nH]c[nH+]2)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](CC1CCCCC1)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C=O)NC(=O)[C@H](CO)NC(=O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)C(C(=O)NC(CC1CCCCC1)C(=O)NC(Cc2c[nH]c[nH+]2)C=O)NC(=O)C(C)NC(=O)C(CO)NC(=O)C |
