Arginylglycylaspartic acid | SBID = 1525 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 223.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -6.0 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 7.0 | ||
| Number of H-Bond Acceptors: | 8.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 2.0 | ||
| 3D Volume/Å3: | 253.3 | ||
| Sum Formula: | C12H22N6O6 | ||
| M / g/mol: | 346.34 | ||
| Complexity: | 504.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: peptide, typical guest
- Name: Arginylglycylaspartic acid
- Preferred Abbreviation: RGD
- IUPAC Name: (2S)-2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]butanedioic acid
- CAS: 99896-85-2
- CID: 104802
- InChiKey: IYMAXBFPHPZYIK-BQBZGAKWSA-N
- InChi: InChI=1S/C12H22N6O6/c13-6(2-1-3-16-12(14)15)10(22)17-5-8(19)18-7(11(23)24)4-9(20)21/h6-7H,1-5,13H2,(H,17,22)(H,18,19)(H,20,21)(H,23,24)(H4,14,15,16)/t6-,7-/m0/s1
- CanoSmiles: C(CC(C(=O)NCC(=O)NC(CC(=O)O)C(=O)O)N)CN=C(N)N
- IsoSmiles: C(C[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)N)CN=C(N)N
