MC2
Summary
| Name: | N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-L-ARIGNINAMIDE |
| Formula: | C25 H30 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 446.545 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | L-phenylalanyl-N-naphthalen-2-yl-L-argininamide |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-5-carbamimidamido-N-naphthalen-2-yl-pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(C(=O)Nc2ccc1c(cccc1)c2)CCCNC(=[N@H])N)C(N)Cc3ccccc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc2ccc3ccccc3c2 |
| SMILES | CACTVS | 3.341 | N[CH](Cc1ccccc1)C(=O)N[CH](CCCNC(N)=N)C(=O)Nc2ccc3ccccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\N)/NCCC[C@@H](C(=O)Nc1ccc2ccccc2c1)NC(=O)[C@H](Cc3ccccc3)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(N)NCCCC(C(=O)Nc1ccc2ccccc2c1)NC(=O)C(Cc3ccccc3)N |
| InChI | InChI | 1.03 | InChI=1S/C25H30N6O2/c26-21(15-17-7-2-1-3-8-17)23(32)31-22(11-6-14-29-25(27)28)24(33)30-20-13-12-18-9-4-5-10-19(18)16-20/h1-5,7-10,12-13,16,21-22H,6,11,14-15,26H2,(H,30,33)(H,31,32)(H4,27,28,29)/t21-,22-/m0/s1 |
| InChIKey | InChI | 1.03 | ZNHUFUZDUQRKBB-VXKWHMMOSA-N |
