NSZ
Summary
| Name: | N-(biphenyl-4-ylacetyl)-S-methyl-L-cysteinyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide |
| Formula: | C41 H49 N7 O4 S |
| Formal charge: | 0 |
| Formula weight: | 735.937 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | N-(biphenyl-4-ylacetyl)-S-methyl-L-cysteinyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide |
| OpenEye OEToolkits | 1.6.1 | 5-carbamimidamido-2-[[3-methylsulfanyl-2-[2-(4-phenylphenyl)ethanoylamino]propanoyl]amino]-N-[(2S)-1-oxo-1-(phenethylamino)-3-phenyl-propan-2-yl]pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(NC(C(=O)NC(C(=O)NC(C(=O)NCCc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])N)CSC)Cc4ccc(c3ccccc3)cc4 |
| SMILES_CANONICAL | CACTVS | 3.352 | CSC[C@H](NC(=O)Cc1ccc(cc1)c2ccccc2)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCc4ccccc4 |
| SMILES | CACTVS | 3.352 | CSC[CH](NC(=O)Cc1ccc(cc1)c2ccccc2)C(=O)N[CH](CCCNC(N)=N)C(=O)N[CH](Cc3ccccc3)C(=O)NCCc4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(/N)\NCCCC(C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)C(CSC)NC(=O)Cc3ccc(cc3)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CSCC(C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)Cc3ccc(cc3)c4ccccc4 |
| InChI | InChI | 1.03 | InChI=1S/C41H49N7O4S/c1-53-28-36(46-37(49)27-31-19-21-33(22-20-31)32-16-9-4-10-17-32)40(52)47-34(18-11-24-45-41(42)43)39(51)48-35(26-30-14-7-3-8-15-30)38(50)44-25-23-29-12-5-2-6-13-29/h2-10,12-17,19-22,34-36H,11,18,23-28H2,1H3,(H,44,50)(H,46,49)(H,47,52)(H,48,51)(H4,42,43,45)/t34-,35+,36+/m1/s1 |
| InChIKey | InChI | 1.03 | UYRQVAFRIYOHSH-SBPNQFBHSA-N |
